SCHEMBL4405601

SCHEMBL4405601

COc1cc(NC(=O)OC(C)(C)C)c(F)c(OC)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP1B1 Q16678 1/20 0.40
TSHR P16473 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 2/20 0.39
NR1I2 O75469 1/20 0.38
MAPT P10636 4/20 0.38
TP53 P04637 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LPAR1 Q92633 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
ACAT1 P24752 1/20 0.38
SOAT1 P35610 1/20 0.38
ABCB1 P08183 1/20 0.37
CYP17A1 P05093 1/20 0.37

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
SCHEMBL29514038 1.00 GAA (0.40) GAAALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL9279023 0.87 CYP17A1 (0.40) GAAALDH1A1MAPTCYP17A1POLB
SCHEMBL29561801 0.86 KDM4E (0.41) GAAALDH1A1NPSR1KDM4EMAPT
SCHEMBL20397251 0.84 AAK1 (0.40) GAAALDH1A1KDM4ECYP17A1
SCHEMBL31500455 0.84 AAK1 (0.40) GAAALDH1A1KDM4ECYP17A1
SCHEMBL4768199 0.84 GAA (0.41) GAAALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL12945000 0.83 RXFP1 (0.46) GAAALDH1A1CYP1A2TSHRNPSR1
SCHEMBL31662615 0.83 AKR1C3 (0.41) CYP17A1
SCHEMBL3970186 0.83 ALDH1A1 (0.40) GAAALDH1A1CYP1A1CYP1A2CYP1B1
SCHEMBL4768748 0.83 CYP1A1 (0.43) GAAALDH1A1CYP1A1CYP1A2CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240043420-A1 7-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN INC. 2024-02-08 US disclosed
EP-4225741-A1 7-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES Enliven Therapeutics, Inc. (US) 2023-08-16 EP disclosed
CN-116438182-A 7-azaindole compounds for inhibiting BCR-ABL tyrosine kinase 活力疗法公司 2023-07-14 CN disclosed
WO-2022076973-A1 7-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ENLIVEN THERAPEUTICS, INC. (US) 2022-04-14 WO disclosed
EP-1549651-B1 PYRIMIDOPYRIMIDONES AS KINASE INHIBITORS WARNER LAMBERT CO (US) 2009-12-23 EP disclosed
US-7196090-B2 Kinase inhibitors WARNER-LAMBERT COMPANY (US) 2007-03-27 US disclosed
WO-2006038112-A1 USE OF KINASE INHIBITORS TO PROMOTE NEOCHONDROGENESIS WARNER-LAMBERT COMPANY LLC (US) 2006-04-13 WO disclosed
EP-1549651-A1 KINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-07-06 EP disclosed
WO-2004011465-A1 KINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-05 WO disclosed
US-20040019210-A1 Kinase inhibitors CHIVIKAS CONNOLLY CLEO J (US) 2004-01-29 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 (2 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-20040019210-A1 Kinase inhibitors CDK2, CDK1, CDK4 GAA 1727/4885ALDH1A1 1779/4885CYP1A1 1414/4885
US-20240043420-A1 7-AZAINDOLE COMPOUNDS FOR INHIBITION OF BCR-ABL TYROSINE KINASES ABL1, ABL2, BCR GAA 1291/4885ALDH1A1 1355/4885CYP1A1 3097/4885

“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.