SCHEMBL984310

SCHEMBL984310

CN(C)c1ccc(-c2nc3cc([N+](=O)[O-])cnc3[nH]2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.46
RAB9A P51151 7/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
MAPT P10636 6/20 0.46
MMP2 P08253 4/20 0.46
MMP9 P14780 4/20 0.46
MMP8 P22894 4/20 0.46
HTT P42858 4/20 0.46
MMP13 P45452 3/20 0.46
CASP3 P42574 2/20 0.46
SENP8 Q96LD8 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
SENP6 Q9GZR1 2/20 0.46
NPBWR1 P48145 9/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NFKB1 P19838 3/20 0.45
NFKB2 Q00653 3/20 0.45
RELA Q04206 3/20 0.45
MAPK1 P28482 2/20 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 0.87 NPC1 (0.59) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL987534 0.86 NPBWR1 (0.61) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL984215 0.84 MAPT (0.49) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL986061 0.84 MMP13 (0.57) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL987496 0.84 NPBWR1 (0.61) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL984422 0.83 RAB9A (0.59) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL984150 0.83 NPC1 (0.63) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL2977857 0.83 ALOX5 (0.48) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL988049 0.82 NPC1 (0.60) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL986443 0.81 NPC1 (0.46) NPC1RAB9AMEN1KMT2AMAPT

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
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

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 NPC1 3527/4885RAB9A 752/4885MEN1 1673/4885

“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.