SCHEMBL13629356

SCHEMBL13629356

COc1cnc2cnc3ncc(Cl)cc3c(=O)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.39
GABRA1 P14867 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA6 Q16445 1/20 0.38
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
MTNR1B P49286 5/20 0.33
MTNR1A P48039 4/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL13629314 0.79 MET (0.39) MET
SCHEMBL4467541 0.79 NPC1 (0.42) METGABRA1GABRG2GABRB3GABRA5
SCHEMBL4309829 0.67 MET (0.54) METGABRA1GABRG2GABRB3GABRA5
SCHEMBL16536235 0.66 PDGFRB (0.57) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4308502 0.64 MET (0.48) METGABRA1GABRG2GABRB3GABRA5
SCHEMBL18260561 0.63 MTNR1B (0.37) MTNR1BMTNR1AALDH1A1HPGDMAPT
SCHEMBL13629313 0.63 MET (0.41) METALDH1A1HPGDMAPTKDM4E
SCHEMBL13629323 0.63 MET (0.39) MET
SCHEMBL4326486 0.62 MET (0.49) METGABRA1GABRG2GABRB3GABRA5
SCHEMBL14237089 0.61 KDM4E (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291941-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-11-26 US disclosed
US-20090291941-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-11-26 US disclosed
WO-2007050401-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-05-03 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-20090291941-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, RET MET 4/4885GABRA1 2264/4885GABRG2 1996/4885

“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.