SCHEMBL1592937

SCHEMBL1592937

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
CDK2 P24941 1/20 0.40
CYP1A2 P05177 1/20 0.38
MAPT P10636 3/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
IDO1 P14902 1/20 0.36
TYMP P19971 1/20 0.36
POLB P06746 3/20 0.36
GRK6 P43250 2/20 0.36
GLA P06280 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL1592830 0.86 SMN1; SMN2 (0.46) CDK2MAPTNPC1RAB9AALDH1A1
SCHEMBL1592861 0.85 GLA (0.41) CDK2MAPTALDH1A1MEN1KMT2A
SCHEMBL1496210 0.82 IDO1 (0.38) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL1593796 0.78 IDO1 (0.39) MAPTNPC1ALDH1A1TDP1MEN1
SCHEMBL1593872 0.77 DYRK1A (0.41) LMNACYP1A2MAPTNPC1RAB9A
SCHEMBL11412120 0.77 CDK2 (0.57) LMNACDK2CYP1A2MAPTALDH1A1
SCHEMBL1593526 0.75 POLB (0.43) CDK2MAPTMEN1KMT2APOLB
SCHEMBL1593117 0.75 IDO1 (0.53) LMNACDK2MAPTNPC1RAB9A
SCHEMBL14236122 0.75 IDO1 (0.42) LMNAMAPTALDH1A1TDP1MEN1
SCHEMBL1496184 0.74 IDO1 (0.41) LMNACYP1A2MAPTNPC1ALDH1A1

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 LMNA 1855/4885CDK2 78/4885CYP1A2 1083/4885

“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.