SCHEMBL983953

SCHEMBL983953

Nc1cnc2[nH]c(-c3ccncc3)nc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
RHEB Q15382 1/20 0.45
PKN1 Q16512 4/20 0.45
PKN2 Q16513 4/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 2/20 0.44
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RXFP1 Q9HBX9 2/20 0.41
CACNA1B Q00975 1/20 0.41

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 0.87 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL986878 0.86 ALDH1A1 (0.54) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL987203 0.84 MAPT (0.60) ALDH1A1KDM4EHPGDHSD17B10NPC1
SCHEMBL987245 0.83 MMP2 (0.52) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL985911 0.83 CDK5 (0.50) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL988039 0.83 ALDH1A1 (0.56) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL985864 0.83 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL984971 0.82 NPBWR1 (0.53)
SCHEMBL2984904 0.82 MAP4K4 (0.39) ALDH1A1KDM4EHPGDHSD17B10CYP3A4
SCHEMBL2982151 0.82 IDO1 (0.42) ALDH1A1KDM4EHPGDHSD17B10CYP3A4

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 ALDH1A1 1091/4885KDM4E 2145/4885HPGD 1413/4885

“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.