SCHEMBL939860

SCHEMBL939860

CCOC(=O)c1c(N)sc2c1CCCN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.88
MAPT P10636 11/20 0.60
GAA P10253 7/20 0.60
ALDH1A1 P00352 7/20 0.60
KDM4E B2RXH2 6/20 0.60
HPGD P15428 6/20 0.60
HSD17B10 Q99714 3/20 0.60
ALOX15 P16050 2/20 0.60
MAPK1 P28482 1/20 0.60
TSHR P16473 1/20 0.52
ALOX12 P18054 1/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
LMNA P02545 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 2/20 0.50
PKM P14618 1/20 0.50
BLM P54132 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50

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
SCHEMBL938054 0.94 ADORA1 (1.00) ADORA1MAPTGAAALDH1A1KDM4E
SCHEMBL10856142 0.91 ADORA1 (0.72) ADORA1MAPTGAAALDH1A1KDM4E
SCHEMBL18000059 0.88 ADORA1 (0.81) ADORA1MAPTGAAALDH1A1KDM4E
SCHEMBL938730 0.87 ADORA1 (0.84) ADORA1MAPTGAAALDH1A1KDM4E
SCHEMBL937489 0.86 ADORA1 (0.85) ADORA1MAPTGAAALDH1A1KDM4E
SCHEMBL17018772 0.85 ADORA1 (0.71) ADORA1MAPTGAAALDH1A1KDM4E
SCHEMBL970355 0.84 ADORA1 (0.83) ADORA1MAPTGAAALDH1A1KDM4E
SCHEMBL27302179 0.83 ADORA1 (0.81) ADORA1MAPTGAAALDH1A1KDM4E
SCHEMBL13739529 0.81 ADORA1 (0.78) ADORA1MAPTGAAALDH1A1KDM4E
SCHEMBL30772858 0.81 ADORA1 (0.77) ADORA1MAPTGAAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023015240-A1 TRICYCLIC FUSED PYRIMIDINE COMPOUNDS FOR USE AS HER2 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-02-09 WO disclosed
US-8524722-B2 Substituted tricyclic compounds and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-03 US disclosed
US-8524722-B2 Substituted tricyclic compounds and methods of use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-03 US disclosed
EP-2212332-B1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER IP GMBH (DE) 2012-10-24 EP disclosed
EP-2212332-B1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER IP GMBH (DE) 2012-10-24 EP disclosed
US-20110021493-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
US-20110021493-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
US-20110021493-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-01-27 US disclosed
EP-2212332-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF Bayer Schering Pharma Aktiengesellschaft (DE) 2010-08-04 EP disclosed
WO-2009033581-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-19 WO disclosed
WO-2009033581-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-03-19 WO 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 (1 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-20110021493-A1 SUBSTITUTED TRICYCLIC COMPOUNDS AND METHODS OF USE THEREOF CYP11B2, CYP11B1, CYP11A1 ADORA1 2072/4885MAPT 2421/4885GAA 247/4885

“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.