SCHEMBL20132733

SCHEMBL20132733

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
GAA P10253 2/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
PKM P14618 1/20 0.36
PTGS2 P35354 1/20 0.36
HPGD P15428 2/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 1/20 0.35
TP53 P04637 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
CA12 O43570 1/20 0.33

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
SCHEMBL24603042 0.86 TAS1R3 (0.47) TAS1R3TAS1R1GAACHRNB2CHRNB4
SCHEMBL8031100 0.83 ALDH1A1 (0.50) TAS1R3TAS1R1GAACHRNB2CHRNB4
SCHEMBL25947506 0.83 ALDH1A1 (0.50) TAS1R3TAS1R1GAACHRNB2CHRNB4
SCHEMBL23722464 0.81 CHRNB2 (0.42) TAS1R3TAS1R1GAACHRNB2CHRNB4
SCHEMBL23095373 0.81 ADH1B (0.42) TAS1R3TAS1R1EPHX1MEN1KMT2A
SCHEMBL23095392 0.80 CHRNB2 (0.40) TAS1R3TAS1R1GAACHRNB2CHRNB4
SCHEMBL19119593 0.80 CHRNB2 (0.40) TAS1R3TAS1R1GAACHRNB2CHRNB4
SCHEMBL20807998 0.80 CHRNB2 (0.40) TAS1R3TAS1R1GAACHRNB2CHRNB4
SCHEMBL22595052 0.78 TAS1R3 (0.58) TAS1R3TAS1R1MMP1MMP2GAA
SCHEMBL4907351 0.78 TAS1R3 (0.62) TAS1R3TAS1R1MMP1MMP2MMP3

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295137-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF DANA FARBER CANCER INST INC (US) 2023-09-21 US disclosed
US-10342798-B2 Fused bicyclic pyrimidine derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-07-09 US disclosed
US-10172868-B2 Substituted quinazolines for inhibiting kinase activity NEUPHARMA, INC. (US) 2019-01-08 US disclosed
US-20180153894-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-06-07 US disclosed
US-20180125855-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY NEUPHARMA, INC. 2018-05-10 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 (5 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-10172868-B2 Substituted quinazolines for inhibiting kinase activity DCK, ABL1, MAP4K2 TAS1R3 4405/4885TAS1R1 4516/4885MMP1 4458/4885
US-20180125855-A1 SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY DCK, ABL1, MAP4K2 TAS1R3 4405/4885TAS1R1 4516/4885MMP1 4458/4885
US-20230295137-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 TAS1R3 4260/4885TAS1R1 4318/4885MMP1 427/4885
US-10342798-B2 Fused bicyclic pyrimidine derivatives and uses thereof CDK3, CDK14, CDK1 TAS1R3 4656/4885TAS1R1 4844/4885MMP1 1621/4885
US-20180153894-A1 FUSED BICYCLIC PYRIMIDINE DERIVATIVES AND USES THEREOF CDK3, CDK14, CDK1 TAS1R3 4656/4885TAS1R1 4844/4885MMP1 1621/4885

“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.