SCHEMBL174500

SCHEMBL174500

O=c1ccn(-c2cccc(Br)c2)nc1CO

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.41
MGLL Q99685 1/20 0.41
CYP2C9 P11712 1/20 0.40
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
XDH P47989 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
ALKBH5 Q6P6C2 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 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
SCHEMBL13274942 0.87 POLB (0.42) MEN1KMT2APOLBMGLLCYP2C9
SCHEMBL2275486 0.82 CYP2C9 (0.33) MEN1KMT2APOLBCYP2C9GAA
SCHEMBL518328 0.80 ALDH1A1 (0.60) MEN1KMT2APOLBCYP2C9ALDH1A1
SCHEMBL2263582 0.78 KMT2A (0.39) MEN1KMT2APOLBCYP2C9GAA
SCHEMBL359785 0.77 KMT2A (0.71) MEN1KMT2APOLBCYP2C9GAA
SCHEMBL368697 0.76 KMT2A (0.58) MEN1KMT2APOLBCYP2C9GAA
SCHEMBL13274945 0.76 MEN1 (0.41) MEN1KMT2APOLBSMN1; SMN2MAPT
SCHEMBL367952 0.75 MEN1 (0.44) MEN1KMT2APOLBMGLLCYP2C9
SCHEMBL15352749 0.73 SMN1; SMN2 (0.41) MEN1KMT2APOLBMGLLSMN1; SMN2
SCHEMBL30264109 0.73 SMN1; SMN2 (0.41) MEN1KMT2APOLBMGLLSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2611450-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-10 EP disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
US-20130158041-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2013-06-20 US disclosed
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-2012030633-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-08 WO disclosed
WO-2012030633-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-08 WO 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 (2 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
US-20130158041-A1 Tyrosine Kinase Inhibitors MET, ABL1, ERBB2 MEN1 975/4885KMT2A 651/4885POLB 1904/4885

“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.