SCHEMBL371183

SCHEMBL371183

Cn1cc(-n2ccc(=O)c(CCc3ccnc4ccccc34)n2)cn1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.40
GRM4 Q14833 6/20 0.37
HTR2B P41595 1/20 0.37
MTNR1A P48039 1/20 0.37
KCNH2 Q12809 1/20 0.37
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.34
BRD4 O60885 1/20 0.34
FLT1 P17948 2/20 0.34
KDR P35968 2/20 0.34
MAPK8 P45983 1/20 0.33
ALK Q9UM73 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
CYP19A1 P11511 1/20 0.32
TBXAS1 P24557 1/20 0.32

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
SCHEMBL359583 0.83 AURKA (0.47) GRM4
SCHEMBL368067 0.79 MET (0.39) KDR
SCHEMBL369021 0.78 MET (0.39)
SCHEMBL164181 0.77 MET (0.53) KCNH2HRH3
SCHEMBL359783 0.77 MET (0.35) PDE10AGRM4MTNR1A
SCHEMBL158835 0.74 CYP2C9 (0.35) KCNH2KDM4EALDH1A1SMN1; SMN2BRD4
SCHEMBL359649 0.73 GFER (0.33) SMN1; SMN2
SCHEMBL360549 0.73 MET (0.36) PDE10AGRM4
SCHEMBL2223065 0.73 MET (0.40) PDE10AKCNH2ALDH1A1LMNASMN1; SMN2
SCHEMBL173996 0.73 CYP2C9 (0.37) KDM4EALDH1A1SMN1; SMN2BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 EP claimed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US claimed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO claimed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 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-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET PDE10A 3303/4885GRM4 1166/4885HTR2B 2363/4885

“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.