SCHEMBL984968

SCHEMBL984968

Nc1cnc2[nH]c(-c3ccccc3Cl)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
KDM4E B2RXH2 3/20 0.51
ALDH1A1 P00352 3/20 0.51
GPR55 Q9Y2T6 1/20 0.51
GUSB P08236 1/20 0.47
KDR P35968 1/20 0.45
PTGES O14684 4/20 0.43
NPBWR1 P48145 1/20 0.43
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TP53 P04637 1/20 0.42
PIM1 P11309 1/20 0.41
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40

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
SCHEMBL983774 0.83 PTGES (0.45) NPC1RAB9AKDM4EALDH1A1KDR
SCHEMBL986675 0.83 NPC1 (0.51) NPC1RAB9AKDM4EALDH1A1KDR
SCHEMBL986878 0.79 ALDH1A1 (0.54) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL986842 0.78 NPBWR1 (0.62) NPC1RAB9AKDM4EALDH1A1GPR55
SCHEMBL986012 0.77 MEN1 (0.47) NPC1RAB9AKDM4EALDH1A1KDR
SCHEMBL988039 0.77 ALDH1A1 (0.56) NPC1RAB9AKDM4EALDH1A1GUSB
SCHEMBL984463 0.76 HRH1 (0.48) NPC1RAB9AKDM4EALDH1A1KDR
SCHEMBL5621043 0.74 ALDH1A1 (0.54) NPC1RAB9AKDM4EALDH1A1NPBWR1
SCHEMBL2982151 0.73 IDO1 (0.42) NPC1RAB9AKDM4EALDH1A1MAPT
SCHEMBL983953 0.72 ALDH1A1 (0.45) NPC1RAB9AKDM4EALDH1A1MAPT

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 752/4885KDM4E 2145/4885

“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.