SCHEMBL985864

SCHEMBL985864

Nc1cnc2[nH]c(-c3ccc(F)cc3)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
PKM P14618 2/20 0.47
KDM4E B2RXH2 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
RXFP1 Q9HBX9 2/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
MAPT P10636 3/20 0.43
GLA P06280 2/20 0.43
RECQL P46063 2/20 0.43
GFER P55789 2/20 0.43
GAA P10253 1/20 0.43
CHEK2 O96017 1/20 0.43
TNKS O95271 2/20 0.42
TNKS2 Q9H2K2 2/20 0.42
PARP2 Q9UGN5 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 0.89 ALDH1A1 (0.54) ALDH1A1PKMKDM4ESMN1; SMN2NPC1
SCHEMBL2973981 0.85 KDM4E (0.39) ALDH1A1PKMKDM4ESMN1; SMN2NPC1
SCHEMBL988039 0.85 ALDH1A1 (0.56) ALDH1A1PKMKDM4ESMN1; SMN2NPC1
SCHEMBL985911 0.85 CDK5 (0.50) ALDH1A1PKMKDM4ESMN1; SMN2NPC1
SCHEMBL987245 0.85 MMP2 (0.52) ALDH1A1PKMKDM4ESMN1; SMN2NPC1
SCHEMBL986878 0.84 ALDH1A1 (0.54) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL984971 0.84 NPBWR1 (0.53) TNKSTNKS2CCNB2CDK1CCNB1
SCHEMBL983953 0.83 ALDH1A1 (0.45) ALDH1A1KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL13607851 0.82 ALDH1A1 (0.47) ALDH1A1PKMKDM4ESMN1; SMN2NPC1
SCHEMBL987859 0.81 AURKA (0.50) KDM4ENPC1RAB9AMEN1KMT2A

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 1091/4885PKM 1742/4885KDM4E 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.