SCHEMBL9005243

SCHEMBL9005243

CN(C)C/C=C/C(=O)NC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.41
ACKR3 P25106 1/20 0.40
LMNA P02545 2/20 0.37
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
JAK3 P52333 2/20 0.32
POLB P06746 1/20 0.31
ITK Q08881 3/20 0.30
BTK Q06187 2/20 0.30
PTGS2 P35354 1/20 0.30
CDK14 O94921 1/20 0.30
CCNY Q8ND76 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ERBB2 P04626 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19069390 0.90 ACKR3 (0.36) EGFRACKR3LMNA
SCHEMBL20939084 0.90 ACKR3 (0.36) EGFRACKR3LMNA
SCHEMBL20938920 0.85 ACKR3 (0.34) ACKR3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL20927064 0.83 KMT2A (0.43) ACKR3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL22355634 0.82 EGFR (0.37) EGFRACKR3LMNACHRNB2CHRNB4
SCHEMBL19912763 0.81 EGFR (0.39) EGFRACKR3LMNAERBB2
SCHEMBL24690684 0.80 ALDH1A1 (0.43) ACKR3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19069227 0.80 ACKR3 (0.33) ACKR3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL21108889 0.80 ACKR3 (0.33) ACKR3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL21889711 0.78 KMT2A (0.34) ACKR3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 166 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2024-02-29 US disclosed
US-20230348487-A1 2-AMINOPYRIMIDINE COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF AND APPLICATION THEREOF GUANGZHOU SALUSTIER BIOSCIENCES CO., LTD. (CN) 2023-11-02 US disclosed
US-20230348487-A1 2-AMINOPYRIMIDINE COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF AND APPLICATION THEREOF GUANGZHOU SALUSTIER BIOSCIENCES CO., LTD. (CN) 2023-11-02 US disclosed
US-20230250062-A9 Substituted Heterocyclyl Derivatives as CDK Inhibitors AURIGENE ONCOLOGY LIMITED (IN) 2023-08-10 US disclosed
US-11718630-B2 Compositions and methods for treating cancer THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-08-08 US disclosed
US-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-08-03 US disclosed
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
US-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-04 US disclosed
US-11578074-B2 Nitrogenous heterocyclic compound, preparation method, intermediate, composition, and application Shanghai Pharmaceuticals Holding Cd., Ltd. (CN) 2023-02-14 US disclosed
US-20230043970-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS NEUPHARMA, INC 2023-02-09 US disclosed
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-09-30 US disclosed
US-20100185419-A1 ALGORITHM FOR DESIGNING IRREVERSIBLE INHIBITORS AVILA THERAPEUTICS, INC. (US) 2010-07-22 US disclosed
US-20100069294-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-03-18 US disclosed
US-20100041674-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-02-18 US disclosed
US-20100041591-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-02-18 US disclosed
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof AVILA THERAPEUTICS, INC. (US) 2010-02-04 US disclosed
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-01-21 US disclosed
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-12-10 US disclosed
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-07-09 US disclosed
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2009-05-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (19 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100029610-A1 Heteroaryl Compounds and Uses Thereof ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885ACKR3 829/4885LMNA 2409/4885
US-20230043970-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS BRAF, PIK3CA, PLK1 EGFR 272/4885ACKR3 3720/4885LMNA 1523/4885
US-20230250062-A9 Substituted Heterocyclyl Derivatives as CDK Inhibitors CDK19, CDK9, CDK1 EGFR 2065/4885ACKR3 1129/4885LMNA 1304/4885
US-20230135350-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS EGFR 201/4885ACKR3 2603/4885LMNA 2600/4885
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 EGFR 2649/4885ACKR3 4736/4885LMNA 2907/4885
US-20100069294-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC EGFR 3164/4885ACKR3 1663/4885LMNA 3795/4885
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885ACKR3 829/4885LMNA 2409/4885
US-11718630-B2 Compositions and methods for treating cancer KRAS, HRAS, NRAS EGFR 201/4885ACKR3 2603/4885LMNA 2600/4885
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC EGFR 3164/4885ACKR3 1663/4885LMNA 3795/4885
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885ACKR3 829/4885LMNA 2409/4885
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 EGFR 1981/4885ACKR3 829/4885LMNA 2409/4885
US-11578074-B2 Nitrogenous heterocyclic compound, preparation method, intermediate, composition, and application ERBB2, EGFR, ERBB4 EGFR 2/4885ACKR3 2446/4885LMNA 2460/4885
US-20240067656-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS EGFR 201/4885ACKR3 2603/4885LMNA 2600/4885
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC EGFR 3164/4885ACKR3 1663/4885LMNA 3795/4885
US-20100185419-A1 ALGORITHM FOR DESIGNING IRREVERSIBLE INHIBITORS CDKN1A, SERPINB1, SPR EGFR 1023/4885ACKR3 2031/4885LMNA 4597/4885
US-20100041674-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC EGFR 3164/4885ACKR3 1663/4885LMNA 3795/4885
US-20100041591-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC EGFR 3164/4885ACKR3 1663/4885LMNA 3795/4885
US-20230348487-A1 2-AMINOPYRIMIDINE COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF AND APPLICATION THEREOF JAK3, JAK2, JAK1 EGFR 1162/4885ACKR3 195/4885LMNA 3737/4885
US-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS EGFR 201/4885ACKR3 2603/4885LMNA 2600/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.