SCHEMBL20927064

SCHEMBL20927064

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

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.43
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
EPHX1 P07099 1/20 0.34
ACKR3 P25106 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
JAK3 P52333 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
SCHEMBL21889711 0.87 KMT2A (0.34) KMT2ARAB9ASMN1; SMN2ACKR3L3MBTL1
SCHEMBL24690684 0.86 ALDH1A1 (0.43) KMT2AACKR3CHRNB2CHRNB4CHRNA3
SCHEMBL9005243 0.83 EGFR (0.41) ACKR3KDM4ECHRNB2CHRNB4CHRNA3
SCHEMBL20939084 0.81 ACKR3 (0.36) ACKR3
SCHEMBL19069390 0.81 ACKR3 (0.36) ACKR3
SCHEMBL20938920 0.80 ACKR3 (0.34) ACKR3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19069227 0.79 ACKR3 (0.33) ACKR3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL21889707 0.78 CHRNB2 (0.33) ACKR3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL22332213 0.77 ALDH1A1 (0.38) ACKR3CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL22355637 0.77 ACKR3 (0.30) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF THE EHE FOUNDATION 2023-05-11 US disclosed
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2022-06-07 US disclosed
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors CELGENE CAR LLC (BM) 2020-11-10 US disclosed
US-10781207-B2 Inhibitors of mutant isocitrate dehydrogenases and compositions and methods thereof ISOCURE BIOSCIENCES INC. (US) 2020-09-22 US disclosed
US-10653701-B2 Substituted quinazolines for inhibiting kinase activity NEUPHARMA, INC. (US) 2020-05-19 US disclosed
US-20190307767-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY NEUPHARMA, INC. 2019-10-10 US disclosed
US-20190233414-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF ISOCURE BIOSCIENCES INC (US) 2019-08-01 US disclosed
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2019-04-25 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 (8 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-20190307767-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY DCK, ABL1, MAP4K2 KMT2A 830/4885RAB9A 1145/4885SMN1; SMN2 3384/4885
US-20230148061-A1 TEAD INHIBITORS AND USES THEREOF TEAD2, TEAD3, TEAD4 KMT2A 2717/4885RAB9A 1360/4885SMN1; SMN2 3736/4885
US-11351168-B1 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK KMT2A 830/4885RAB9A 2430/4885SMN1; SMN2 4194/4885
US-10653701-B2 Substituted quinazolines for inhibiting kinase activity DCK, ABL1, MAP4K2 KMT2A 830/4885RAB9A 1145/4885SMN1; SMN2 3384/4885
US-10781207-B2 Inhibitors of mutant isocitrate dehydrogenases and compositions and methods thereof IDH1, IDH2, IDH3A KMT2A 530/4885RAB9A 3547/4885SMN1; SMN2 2494/4885
US-10828300-B2 Substituted 2,4-diaminopyrimidines as kinase inhibitors ABL1, DCK, ERBB2 KMT2A 469/4885RAB9A 2726/4885SMN1; SMN2 2891/4885
US-20190117650-A1 HETEROARYL COMPOUNDS AND USES THEREOF ABCG2, CYP3A43, CYP3A5 KMT2A 3318/4885RAB9A 580/4885SMN1; SMN2 2352/4885
US-20190233414-A1 INHIBITORS OF MUTANT ISOCITRATE DEHYDROGENASES AND COMPOSITIONS AND METHODS THEREOF IDH1, IDH2, IDH3A KMT2A 530/4885RAB9A 3547/4885SMN1; SMN2 2494/4885

“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.