SCHEMBL986206

SCHEMBL986206

Nc1cnc2[nH]c(-c3cccc(OC(F)(F)F)c3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.48
KCNH2 Q12809 1/20 0.47
SCN10A Q9Y5Y9 1/20 0.47
NPY5R Q15761 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KIT P10721 2/20 0.45
DHODH Q02127 1/20 0.42
ATR Q13535 1/20 0.41
BACE1 P56817 1/20 0.41
PRMT1 Q99873 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
SYK P43405 2/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
RUNX1 Q01196 1/20 0.40
CBFB Q13951 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
SCHEMBL986608 0.81 CYP1A2 (0.53) XDHKCNH2NPY5RCYP1A2CYP3A4
SCHEMBL986972 0.81 CYP1A2 (0.47) XDHKCNH2SCN10ANPY5RCYP1A2
SCHEMBL31289533 0.81 PRMT1 (0.54) XDHKCNH2SCN10ACYP1A2CYP3A4
SCHEMBL986878 0.78 ALDH1A1 (0.54) CYP3A4PRMT1MEN1USP2POLB
SCHEMBL984463 0.77 HRH1 (0.48) CYP3A4PRMT1ADORA2AADORA1MEN1
SCHEMBL986735 0.77 HRH1 (0.48) PRMT1MEN1USP2POLBGAA
SCHEMBL13607926 0.77 PDGFRB (0.45) CYP1A2CYP3A4CYP2C9CYP2C19KIT
SCHEMBL13608373 0.76 CYP1A2 (0.43) KCNH2SCN10ANPY5RCYP1A2CYP3A4
SCHEMBL13607893 0.75 TRPV1 (0.46) KCNH2NPY5RDHODHRUNX1CBFB
SCHEMBL984971 0.75 NPBWR1 (0.53) KCNH2TRPV1

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 XDH 876/4885KCNH2 3413/4885SCN10A 3866/4885

“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.