SCHEMBL940596

SCHEMBL940596

O=C(O)N1CCCc2c(sc3ncnc(Cl)c23)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HTT P42858 4/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
POLB P06746 4/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PRNP P04156 1/20 0.43
MKNK1 Q9BUB5 2/20 0.43
LIMK1 P53667 3/20 0.42
CSNK2A2 P19784 2/20 0.41
CSNK2B P67870 2/20 0.41
CSNK2A1 P68400 2/20 0.41
BLM P54132 1/20 0.41
EGFR P00533 2/20 0.41

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
SCHEMBL940518 0.93 MKNK1 (0.48) KDM4ERXFP1MKNK1LIMK1EGFR
SCHEMBL937346 0.85 ALDH1A1 (0.41) ALDH1A1HTTLMNAGAASMN1; SMN2
SCHEMBL17307739 0.84 P2RX3 (0.47) KDM4ERXFP1MKNK1LIMK1EGFR
SCHEMBL940524 0.84 ALDH1A1 (0.44) ALDH1A1HTTLMNAGAASMN1; SMN2
SCHEMBL939632 0.83 MKNK1 (0.62) MKNK1
SCHEMBL17307692 0.83 P2RX3 (0.48) KDM4ERXFP1MKNK1LIMK1EGFR
SCHEMBL17296473 0.82 MKNK1 (0.48) KDM4ERXFP1MKNK1LIMK1EGFR
SCHEMBL17296435 0.79 P2RX3 (0.49) MKNK1LIMK1EGFRGPR55
SCHEMBL17307632 0.79 EGFR (0.48) KDM4ERXFP1MKNK1EGFR
SCHEMBL17296440 0.79 P2RX3 (0.49) KDM4ERXFP1MKNK1LIMK1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117980309-A Tricyclic fused pyrimidine compounds useful as HER2 inhibitors 百时美施贵宝公司 2024-05-03 CN 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
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

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 ALDH1A1 514/4885HTT 257/4885LMNA 404/4885

“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.