SCHEMBL986771

SCHEMBL986771

COc1ccc(-c2nc3cc(N)cnc3[nH]2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
PKM P14618 3/20 0.56
ALDH1A1 P00352 3/20 0.56
TP53 P04637 3/20 0.56
HPGD P15428 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
POLB P06746 2/20 0.56
LMNA P02545 2/20 0.56
RAB9A P51151 5/20 0.50
KDM4E B2RXH2 3/20 0.50
SLC2A1 P11166 1/20 0.48
HTT P42858 2/20 0.46
TNKS O95271 1/20 0.46
GUSB P08236 1/20 0.46
PARP1 P09874 1/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46

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
SCHEMBL5621043 0.85 ALDH1A1 (0.54) NPC1SMN1; SMN2PKMALDH1A1TP53
SCHEMBL985911 0.84 CDK5 (0.50) NPC1SMN1; SMN2PKMALDH1A1TP53
SCHEMBL4841493 0.83 NPC1 (0.50) NPC1SMN1; SMN2PKMALDH1A1TP53
SCHEMBL985864 0.81 ALDH1A1 (0.47) NPC1SMN1; SMN2PKMALDH1A1TP53
SCHEMBL987245 0.81 MMP2 (0.52) NPC1SMN1; SMN2PKMALDH1A1TP53
SCHEMBL988039 0.81 ALDH1A1 (0.56) NPC1SMN1; SMN2PKMALDH1A1TP53
SCHEMBL986878 0.81 ALDH1A1 (0.54) NPC1SMN1; SMN2ALDH1A1TP53HPGD
SCHEMBL987859 0.81 AURKA (0.50) NPC1MEN1KMT2ARAB9AKDM4E
SCHEMBL2978802 0.81 ALOX5 (0.44) NPC1SMN1; SMN2PKMALDH1A1TP53
SCHEMBL11352702 0.80 NPC1 (0.52) NPC1SMN1; SMN2PKMALDH1A1TP53

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 3527/4885SMN1; SMN2 2594/4885PKM 1742/4885

“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.