SCHEMBL984463

SCHEMBL984463

Nc1cnc2[nH]c(-c3cccc(Cl)c3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.48
KDR P35968 2/20 0.45
MET P08581 1/20 0.45
GAA P10253 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PTGES O14684 1/20 0.44
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
BLM P54132 1/20 0.44
NPBWR1 P48145 1/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
DHFR P00374 2/20 0.43
TP53 P04637 2/20 0.43
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43

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
SCHEMBL988039 0.84 ALDH1A1 (0.56) KDRMETGAAMEN1KMT2A
SCHEMBL986878 0.84 ALDH1A1 (0.54) GAAMEN1KMT2AUSP2POLB
SCHEMBL13607892 0.83 SCN2A (0.50) HRH1KDRMETGAAMEN1
SCHEMBL986735 0.83 HRH1 (0.48) HRH1GAAMEN1KMT2APTGES
SCHEMBL13607767 0.83 PTGES (0.56) HRH1KDRMETGAAMEN1
SCHEMBL986012 0.82 MEN1 (0.47) HRH1KDRMETGAAMEN1
SCHEMBL2982151 0.81 IDO1 (0.42) GAAMEN1KMT2AUSP2POLB
SCHEMBL986608 0.80 CYP1A2 (0.53) HRH1MEN1KMT2ANPBWR1KDM4E
SCHEMBL5621043 0.79 ALDH1A1 (0.54) GAAMEN1KMT2AUSP2POLB
SCHEMBL4479039 0.79 KDM4E (0.57) GAAMEN1KMT2AUSP2POLB

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 HRH1 1926/4885KDR 1217/4885MET 1063/4885

“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.