SCHEMBL986022

SCHEMBL986022

O=[N+]([O-])c1cnc2[nH]c(-c3cccnc3)nc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.65
MAPT P10636 5/20 0.48
HPGD P15428 3/20 0.48
NPC1 O15118 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
STAT1 P42224 1/20 0.48
LDHA P00338 1/20 0.47
EPHX2 P34913 1/20 0.47
ABL1 P00519 1/20 0.46
EGFR P00533 1/20 0.46
BCR P11274 1/20 0.46
SRC P12931 1/20 0.46
PRKCA P17252 1/20 0.46
KDM4C Q9H3R0 1/20 0.46
HTT P42858 2/20 0.45
NPBWR1 P48145 1/20 0.45
CYP11B1 P15538 1/20 0.45
KIT P10721 1/20 0.44

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
SCHEMBL984422 0.87 RAB9A (0.59) RAB9AMAPTHPGDNPC1SMN1; SMN2
SCHEMBL988049 0.86 NPC1 (0.60) RAB9AMAPTHPGDNPC1SMN1; SMN2
SCHEMBL5251968 0.83 NPC1 (0.59) RAB9AMAPTHPGDNPC1SMN1; SMN2
SCHEMBL984237 0.81 MMP13 (0.57) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL986445 0.81 NPBWR1 (0.63) RAB9AMAPTHPGDNPC1SMN1; SMN2
SCHEMBL3333823 0.81 RAB9A (0.81) RAB9AMAPTHPGDNPC1SMN1; SMN2
SCHEMBL986061 0.80 MMP13 (0.57) RAB9AMAPTHPGDNPC1SMN1; SMN2
SCHEMBL984215 0.80 MAPT (0.49) RAB9AMAPTHPGDNPC1SMN1; SMN2
SCHEMBL987534 0.80 NPBWR1 (0.61) RAB9AMAPTHPGDNPC1SMN1; SMN2
SCHEMBL987496 0.80 NPBWR1 (0.61) RAB9AMAPTHPGDNPC1SMN1; SMN2

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 RAB9A 752/4885MAPT 4751/4885HPGD 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.