SCHEMBL987859

SCHEMBL987859

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 11/20 0.50
TCF4 P15884 1/20 0.49
CTNNB1 P35222 1/20 0.49
KIF11 P52732 1/20 0.48
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GUSB P08236 1/20 0.46
MAPT P10636 1/20 0.46
CCNB2 O95067 1/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
CCNB3 Q8WWL7 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
RXFP1 Q9HBX9 2/20 0.43
CASP3 P42574 1/20 0.43
NOX1 Q9Y5S8 1/20 0.42

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) NPC1RAB9AKDM4EMAPTMEN1
SCHEMBL27634265 0.84 AURKA (0.63) AURKATCF4CTNNB1KIF11NPC1
SCHEMBL985911 0.84 CDK5 (0.50) NPC1RAB9AKDM4EMAPTCCNB2
SCHEMBL985864 0.81 ALDH1A1 (0.47) TCF4CTNNB1NPC1RAB9AKDM4E
SCHEMBL987245 0.81 MMP2 (0.52) NPC1RAB9AKDM4EMAPTCCNB2
SCHEMBL988039 0.81 ALDH1A1 (0.56) NPC1RAB9AKDM4EGUSBMAPT
SCHEMBL986878 0.81 ALDH1A1 (0.54) NPC1RAB9AKDM4EMAPTCDK1
SCHEMBL986771 0.81 NPC1 (0.56) AURKANPC1RAB9AKDM4EGUSB
SCHEMBL2978802 0.81 ALOX5 (0.44) NPC1RAB9AKDM4EMAPTGSK3A
SCHEMBL983953 0.80 ALDH1A1 (0.45) NPC1RAB9AKDM4EMAPTMEN1

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 AURKA 1235/4885TCF4 1041/4885CTNNB1 1875/4885

“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.