SCHEMBL367952

SCHEMBL367952

CC(O)c1nn(-c2cccc(Br)c2)ccc1=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
MGLL Q99685 1/20 0.39
CYP2C9 P11712 1/20 0.38
GAA P10253 1/20 0.37
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 1/20 0.37
ATM Q13315 1/20 0.37
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL368697 0.77 KMT2A (0.58) MEN1KMT2APOLBSMN1; SMN2CYP2C9
SCHEMBL174500 0.75 MEN1 (0.43) MEN1KMT2APOLBSMN1; SMN2MGLL
SCHEMBL359785 0.75 KMT2A (0.71) MEN1KMT2APOLBSMN1; SMN2CYP2C9
SCHEMBL13274942 0.73 POLB (0.42) MEN1KMT2APOLBSMN1; SMN2MGLL
SCHEMBL31587257 0.73 SMN1; SMN2 (0.44) MEN1KMT2APOLBSMN1; SMN2GAA
SCHEMBL14917565 0.72 PDE10A (0.42) MEN1KMT2APOLBALDH1A1HTT
SCHEMBL30474527 0.71 MAPT (0.50) MEN1KMT2APOLBSMN1; SMN2MGLL
SCHEMBL5535694 0.71 MAPT (0.50) MEN1KMT2APOLBSMN1; SMN2MGLL
SCHEMBL30264109 0.71 SMN1; SMN2 (0.41) MEN1KMT2APOLBSMN1; SMN2MGLL
SCHEMBL15352749 0.71 SMN1; SMN2 (0.41) MEN1KMT2APOLBSMN1; SMN2MGLL

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
EP-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 EP 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
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
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 MEN1 1942/4885KMT2A 730/4885POLB 2703/4885

“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.