SCHEMBL359785

SCHEMBL359785

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

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.71
MEN1 O00255 2/20 0.71
CYP2C9 P11712 1/20 0.70
POLB P06746 1/20 0.56
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48
ALKBH5 Q6P6C2 1/20 0.45
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42

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 0.87 KMT2A (0.58) KMT2AMEN1CYP2C9POLBGAA
SCHEMBL28688451 0.83 CYP2C9 (1.00) KMT2AMEN1CYP2C9POLBGAA
SCHEMBL369612 0.81 GAA (0.53) KMT2AMEN1CYP2C9POLBGAA
SCHEMBL4509431 0.81 RPA1 (0.47) KMT2AMEN1CYP2C9POLBSMN1; SMN2
SCHEMBL518604 0.81 KMT2A (0.67) KMT2AMEN1CYP2C9POLBGAA
SCHEMBL359590 0.80 KMT2A (0.50) KMT2AMEN1CYP2C9POLBGAA
SCHEMBL2497675 0.79 MEN1 (0.49) KMT2AMEN1CYP2C9POLBGAA
SCHEMBL2497671 0.79 MEN1 (0.49) KMT2AMEN1CYP2C9POLBGAA
SCHEMBL28192195 0.77 SMN1; SMN2 (0.55) KMT2AMEN1CYP2C9POLBGAA
SCHEMBL174500 0.77 MEN1 (0.43) KMT2AMEN1CYP2C9POLBGAA

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 KMT2A 730/4885MEN1 1942/4885CYP2C9 4478/4885

“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.