SCHEMBL368697

SCHEMBL368697

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

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
SMN1; SMN2 Q16637 1/20 0.57
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 1/20 0.53
ATM Q13315 1/20 0.53
CYP2C9 P11712 1/20 0.52
POLB P06746 2/20 0.52
GAA P10253 1/20 0.50
MAPT P10636 2/20 0.44
HTT P42858 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL359785 0.87 KMT2A (0.71) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL13557941 0.84 KMT2A (0.80) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL369612 0.82 GAA (0.53) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL359590 0.81 KMT2A (0.50) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL518964 0.81 KMT2A (0.62) KMT2AMEN1ALDH1A1CYP2C9POLB
SCHEMBL2497675 0.80 MEN1 (0.49) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL2497671 0.80 MEN1 (0.49) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL367952 0.77 MEN1 (0.44) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL174500 0.76 MEN1 (0.43) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL13274942 0.74 POLB (0.42) KMT2AMEN1SMN1; SMN2ALDH1A1CYP2C9

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 1942/4885SMN1; SMN2 4292/4885

“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.