SCHEMBL1592830

SCHEMBL1592830

COC(=O)Cc1n[nH]c2ncc([N+](=O)[O-])cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 4/20 0.40
GLA P06280 2/20 0.40
CYP2C19 P33261 2/20 0.39
PTGS2 P35354 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
FLT1 P17948 1/20 0.36
FGFR3 P22607 1/20 0.36
KDR P35968 1/20 0.36
CDK2 P24941 1/20 0.35
CNR2 P34972 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL1592937 0.86 LMNA (0.40) SMN1; SMN2L3MBTL1MAPTGLAALDH1A1
SCHEMBL1592861 0.84 GLA (0.41) MAPTGLACYP2C19ALDH1A1POLB
SCHEMBL1496210 0.81 IDO1 (0.38) SMN1; SMN2MAPTGLAALDH1A1POLB
SCHEMBL6016556 0.80 CDK2 (0.53) SMN1; SMN2L3MBTL1MAPTPTGS2ALDH1A1
SCHEMBL1592855 0.79 SMN1; SMN2 (0.50) SMN1; SMN2MAPTALDH1A1
SCHEMBL6016433 0.78 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1MAPTGLAPTGS2
SCHEMBL17512530 0.76 CYP2C19 (0.42) SMN1; SMN2MAPTGLACYP2C19PTGS2
SCHEMBL20607916 0.76 CYP2C19 (0.42) SMN1; SMN2MAPTGLACYP2C19PTGS2
SCHEMBL22557892 0.76 PKM (0.47) SMN1; SMN2MAPTGLAALDH1A1NPC1
SCHEMBL1495298 0.76 CNR2 (0.44) MAPTCYP2C19NPC1RAB9ACNR2

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
US-8394795-B2 Pyrazole [3, 4-B] pyridine Raf inhibitors ARRAY BIOPHARMA INC. (US) 2013-03-12 US disclosed
EP-2265610-B1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-12-12 EP disclosed
US-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-04-21 US disclosed
EP-2265610-A1 PYRAZOLE [3, 4-B]PYRIDINE RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111279-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 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-20110092479-A1 PYRAZOLE [3, 4-B] PYRIDINE RAF INHIBITORS BRAF, RAF1, ARAF SMN1; SMN2 2996/4885L3MBTL1 1765/4885MAPT 946/4885

“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.