SCHEMBL986608

SCHEMBL986608

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C9 P11712 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
THRB P10828 1/20 0.53
PKM P14618 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
STAT6 P42226 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HIF1A Q16665 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SCN2A Q99250 2/20 0.52

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
SCHEMBL984971 0.85 NPBWR1 (0.53) SCN2ANPBWR1DGAT1KCNH2
SCHEMBL13607863 0.85 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C9KDM4EMEN1
SCHEMBL13608576 0.85 SCN2A (0.53) CYP1A2CYP3A4CYP2C9KDM4EMEN1
SCHEMBL986206 0.81 XDH (0.48) CYP1A2CYP3A4CYP2C9MEN1KMT2A
SCHEMBL13607932 0.81 KDM4E (0.55) CYP1A2CYP3A4CYP2C9KDM4EMEN1
SCHEMBL986878 0.81 ALDH1A1 (0.54) CYP3A4KDM4EMEN1NPC1ALDH1A1
SCHEMBL984463 0.80 HRH1 (0.48) CYP3A4KDM4EMEN1NPC1ALDH1A1
SCHEMBL986735 0.80 HRH1 (0.48) KDM4EMEN1NPC1ALDH1A1PKM
SCHEMBL986028 0.80 SCN2A (0.56) CYP1A2CYP3A4CYP2C9KDM4EMEN1
SCHEMBL3198870 0.79 MEN1 (0.57) CYP1A2CYP3A4CYP2C9KDM4EMEN1

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 CYP1A2 2276/4885CYP3A4 2450/4885CYP2C9 3516/4885

“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.