SCHEMBL2275486

SCHEMBL2275486

O=c1ccn(-c2cncc(Br)c2)nc1CO

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.33
GAA P10253 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
KMT2A Q03164 3/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HCAR2 Q8TDS4 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MEN1 O00255 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HTT P42858 2/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALOX15 P16050 1/20 0.31
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
ADAMTS5 Q9UNA0 1/20 0.31

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
SCHEMBL13274537 0.87 CHRNB2 (0.33) CYP2C9CHRNB2CHRNA4POLBALDH1A1
SCHEMBL174500 0.82 MEN1 (0.43) CYP2C9GAAKMT2APOLBALDH1A1
SCHEMBL13275151 0.72 MET (0.41) GAAPOLBALDH1A1KDM4E
SCHEMBL25615031 0.71 CHRNB2 (0.38) CHRNB2CHRNA4POLBHCAR2HTT
SCHEMBL25614665 0.71 RAB9A (0.43) GAACHRNB2CHRNA4ALDH1A1KDM4E
SCHEMBL13274946 0.70 KMT2A (0.40) CYP2C9CHRNB2CHRNA4KMT2APOLB
SCHEMBL13274942 0.69 POLB (0.42) CYP2C9KMT2APOLBALDH1A1MEN1
SCHEMBL518328 0.68 ALDH1A1 (0.60) CYP2C9KMT2APOLBALDH1A1CYP1A2
SCHEMBL2267538 0.68 ACHE (0.35) CYP2C9GAAKMT2APOLBALDH1A1
SCHEMBL2268612 0.68 PRMT5 (0.38) CHRNB2CHRNA4PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2515657-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2012-10-31 EP disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
US-20120264735-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2012-10-18 US disclosed
WO-2011084402-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2011-07-14 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-20120264735-A1 TYROSINE KINASE INHIBITORS ABL1, MET, ERBB2 CYP2C9 4808/4885GAA 1463/4885CHRNB2 4564/4885

“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.