SCHEMBL1593341

SCHEMBL1593341

O=[N+]([O-])c1cnc2[nH]nc(-c3ccccn3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GPR35 Q9HC97 1/20 0.47
MAPT P10636 4/20 0.47
HPGD P15428 1/20 0.47
LRRK2 Q5S007 1/20 0.47
PIM2 Q9P1W9 2/20 0.45
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
METAP1 P53582 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.40
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
PRKCA P17252 1/20 0.40
PIM3 Q86V86 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39

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
SCHEMBL28826496 0.78 MAPT (0.42) MEN1KMT2AMAPTHPGDLRRK2
SCHEMBL1593055 0.77 PIM1 (0.55) PIM1MAPTHPGDLRRK2PIM2
SCHEMBL28549696 0.77 PIM1 (0.55) PIM1LRRK2PIM2KDM4ENPC1
SCHEMBL15824509 0.76 MAPT (0.46) MEN1KMT2AMAPTHPGDRAB9A
SCHEMBL1496181 0.76 CSNK2A2 (0.49) MEN1KMT2AMAPTHPGDLRRK2
SCHEMBL1593133 0.75 MAPT (0.38) MEN1KMT2AMAPTHPGDNPC1
SCHEMBL1593117 0.73 IDO1 (0.53) MEN1KMT2AMAPTHPGDNPC1
SCHEMBL14236122 0.73 IDO1 (0.42) MEN1KMT2AMAPTHPGDALDH1A1
SCHEMBL1639739 0.73 LRRK2 (0.67) PIM1LRRK2PIM2KDM4ENPC1
SCHEMBL1593429 0.72 ALDH1A1 (0.42) MEN1KMT2AMAPTKDM4ENPC1

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 PIM1 201/4885MEN1 1680/4885KMT2A 3704/4885

“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.