SCHEMBL9070554

SCHEMBL9070554

CCNC(=O)/C=C/CN(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
SLC6A19 Q695T7 1/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNB4 P30926 2/20 0.35
CHRNA3 P32297 2/20 0.35
CHRNA4 P43681 2/20 0.35
ITK Q08881 3/20 0.33
EGFR P00533 3/20 0.33
JAK3 P52333 2/20 0.33
GAA P10253 1/20 0.32
CCNK O75909 1/20 0.32
CDK12 Q9NYV4 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
BTK Q06187 2/20 0.31

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
SCHEMBL31336075 1.00 ALDH1A1 (0.37) ALDH1A1SLC6A19CHRNB2CHRNB4CHRNA3
SCHEMBL9070664 0.84 ALDH1A1 (0.41) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25896074 0.84 ALDH1A1 (0.34) ALDH1A1SLC6A19CHRNB2CHRNB4CHRNA3
SCHEMBL22043583 0.82 CHRNB2 (0.33) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL23653179 0.82 CHRNB2 (0.38) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL15951606 0.82 CHRNB2 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4ITK
SCHEMBL12313552 0.81 JAK3 (0.34) CHRNB2CHRNB4CHRNA3CHRNA4JAK3
SCHEMBL14813244 0.80 ALDH1A1 (0.34) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL12831951 0.80 JAK3 (0.33) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL14813245 0.80 ALDH1A1 (0.38) ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024092011-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2024-05-02 WO disclosed
EP-4279486-A1 2-AMINOPYRIMIDINE COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF AND APPLICATION THEREOF Guangzhou Salustier Biosciences Co., Ltd. (CN) 2023-11-22 EP disclosed
EP-4006035-B1 QUINAZOLINE DERIVATIVES AS TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF CANCER NEUPHARMA INC (US) 2023-11-22 EP disclosed
US-20230295137-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF DANA FARBER CANCER INST INC (US) 2023-09-21 US disclosed
US-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-08-03 US disclosed
US-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-08-03 US disclosed
US-20230212164-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-07-06 US disclosed
WO-2023009785-A1 TEAD INHIBITORS AND USES THEREOF CEDILLA THERAPEUTICS, INC. (US) 2023-02-02 WO disclosed
WO-2022148317-A1 2-AMINOPYRIMIDINE COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF AND APPLICATION THEREOF 广州市力鑫药业有限公司 2022-07-14 WO disclosed
WO-2022117051-A1 MACROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 北京鞍石生物科技有限责任公司 2022-06-09 WO 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-20100041591-A1 HCV PROTEASE INHIBITORS AND USES THEREOF AVILA THERAPEUTICS, INC. (US) 2010-02-18 US disclosed
US-20100041674-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 (13 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 ALDH1A1 684/4885SLC6A19 2066/4885CHRNB2 3564/4885
US-20100069294-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC ALDH1A1 1344/4885SLC6A19 3412/4885CHRNB2 4882/4885
US-20230295137-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 ALDH1A1 2810/4885SLC6A19 3172/4885CHRNB2 4357/4885
US-20100249092-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ALDH1A1 684/4885SLC6A19 2066/4885CHRNB2 3564/4885
US-20090176858-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC ALDH1A1 1344/4885SLC6A19 3412/4885CHRNB2 4882/4885
US-20090137588-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ALDH1A1 684/4885SLC6A19 2066/4885CHRNB2 3564/4885
US-20100016296-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 ALDH1A1 684/4885SLC6A19 2066/4885CHRNB2 3564/4885
US-20230212164-A1 ANNULATED 2-AMINO-3-CYANO THIOPHENES AND DERIVATIVES FOR THE TREATMENT OF CANCER RSU1, KRAS, NRAS ALDH1A1 2334/4885SLC6A19 2179/4885CHRNB2 4163/4885
US-20090306085-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC ALDH1A1 1344/4885SLC6A19 3412/4885CHRNB2 4882/4885
US-20100185419-A1 ALGORITHM FOR DESIGNING IRREVERSIBLE INHIBITORS CDKN1A, SERPINB1, SPR ALDH1A1 3496/4885SLC6A19 2134/4885CHRNB2 2885/4885
US-20100041674-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC ALDH1A1 1344/4885SLC6A19 3412/4885CHRNB2 4882/4885
US-20100041591-A1 HCV PROTEASE INHIBITORS AND USES THEREOF PEPD, CTRL, CTSC ALDH1A1 1344/4885SLC6A19 3412/4885CHRNB2 4882/4885
US-20230242548-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER KRAS, HRAS, NRAS ALDH1A1 2792/4885SLC6A19 4877/4885CHRNB2 3959/4885

“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.