SCHEMBL1593526

SCHEMBL1593526

O=[N+]([O-])c1cnc2[nH]nc(COCc3ccccc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
F2RL3 Q96RI0 1/20 0.42
CTSV O60911 2/20 0.42
CTSL P07711 2/20 0.42
GHSR Q92847 2/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 2/20 0.41
ACHE P22303 1/20 0.41
CDK2 P24941 1/20 0.40
CYP19A1 P11511 5/20 0.40
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
EGFR P00533 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL1592861 0.76 GLA (0.41) POLBMEN1KMT2AMAPTCNR2
SCHEMBL1496210 0.76 IDO1 (0.38) POLBSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1592937 0.75 LMNA (0.40) POLBSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1593796 0.73 IDO1 (0.39) POLBSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1592830 0.72 SMN1; SMN2 (0.46) POLBSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1496184 0.71 IDO1 (0.41) POLBSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL30908092 0.71 IDO1 (0.41) POLBSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL31224820 0.71 POLB (0.52) POLBSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL27712803 0.70 TSHR (0.60) MEN1KMT2AMAPTF2RL3CYP19A1
SCHEMBL1593117 0.70 IDO1 (0.53) POLBMEN1KMT2AMAPTCDK2

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 POLB 1749/4885SMN1; SMN2 2996/4885MEN1 1680/4885

“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.