SCHEMBL987496

SCHEMBL987496

O=[N+]([O-])c1cnc2[nH]c(-c3ccc(Cl)cc3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 13/20 0.61
NPC1 O15118 7/20 0.61
MAPT P10636 6/20 0.61
RAB9A P51151 6/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
HTT P42858 4/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
ALDH1A1 P00352 2/20 0.61
LMNA P02545 2/20 0.61
HPGD P15428 1/20 0.61
MMP2 P08253 4/20 0.49
MMP9 P14780 4/20 0.49
MMP8 P22894 4/20 0.49
MMP13 P45452 3/20 0.49
CASP3 P42574 2/20 0.49
SENP8 Q96LD8 2/20 0.49
SENP7 Q9BQF6 2/20 0.49
SENP6 Q9GZR1 2/20 0.49
NFKB1 P19838 3/20 0.45

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
SCHEMBL5251968 0.91 NPC1 (0.59) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL986056 0.87 NPBWR1 (0.50) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL986061 0.87 MMP13 (0.57) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL987534 0.87 NPBWR1 (0.61) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL984215 0.87 MAPT (0.49) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL984422 0.86 RAB9A (0.59) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL986445 0.86 NPBWR1 (0.63) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL988049 0.85 NPC1 (0.60) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL2973918 0.85 NPBWR1 (0.44) NPBWR1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL984310 0.84 NPC1 (0.46) NPBWR1NPC1MAPTRAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2265609-B1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC (US) 2012-09-05 EP disclosed
US-20110003809-A1 IMIDAZO [4,5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. 2011-01-06 US disclosed
EP-2265609-A1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS Array Biopharma, Inc. (US) 2010-12-29 EP disclosed
WO-2009111277-A9 IMIDAZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-12-30 WO disclosed
WO-2009111277-A1 IMDIZO [4. 5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-09-11 WO disclosed
EP-0255217-B1 FUSED IMIDAZOHETEROCYCLIC COMPOUNDS A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1992-01-22 EP disclosed
US-4948800-A MUSCLE RELAXANTS; ANTICONVULSANTS; ANXIOLYTIC AGENTS; 3-HYDROXYALKYL-PYRIDO(4,5-B OR-C)IMIDAZOLE COMPOUNDS A. H. ROBINS COMPANY, INCORPORATED (US) 1990-08-14 US disclosed
US-4914109-A ANTICONVULSANTS, ANTIANXIETY AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1990-04-03 US disclosed
US-4873251-A MUSCLE RELAXANTS, ANTICONVULSANTS, ANTIANXIETY AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1989-10-10 US disclosed
US-4824951-A MUSCLE RELAXANTS, ANTICONVULSANTS, ANXIOLYTIC AGENTS A. H. ROBINS COMPANY, INCORPORATED (US) 1989-04-25 US disclosed
US-4772600-A MUSCLE RELAXANTS, ANTICONVULSANTS, ANXIOLYTIC A. H. ROBINS COMPANY, INC. (US) 1988-09-20 US disclosed
EP-0255217-A1 Fused imidazoheterocyclic compounds A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) 1988-02-03 EP 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-20110003809-A1 IMIDAZO [4,5-B] PYRIDINE DERIVATIVES USED AS RAF INHIBITORS BRAF, RAF1, ARAF NPBWR1 3190/4885NPC1 3527/4885MAPT 4751/4885

“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.