SCHEMBL984700

SCHEMBL984700

Cc1ccc(-c2nc3cc(N)cnc3[nH]2)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
PKM P14618 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 2/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
NOTUM Q6P988 1/20 0.38
NPBWR1 P48145 2/20 0.38
TRPV1 Q8NER1 2/20 0.38
MEN1 O00255 2/20 0.37
GLA P06280 2/20 0.37
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL986751 0.85 NOTUM (0.45) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL984971 0.81 NPBWR1 (0.53) NPBWR1TRPV1KDR
SCHEMBL984018 0.81 NPBWR1 (0.50) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL985911 0.79 CDK5 (0.50) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL986608 0.78 CYP1A2 (0.53) KDM4EALDH1A1NPC1RAB9APKM
SCHEMBL5621043 0.77 ALDH1A1 (0.54) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL2973981 0.77 KDM4E (0.39) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL985864 0.76 ALDH1A1 (0.47) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL2984904 0.76 MAP4K4 (0.39) KDM4EALDH1A1MAPTNPC1RAB9A
SCHEMBL986012 0.74 MEN1 (0.47) KDM4EALDH1A1MAPTNPC1RAB9A

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 S1PR1 2425/4885KDM4E 2145/4885ALDH1A1 1091/4885

“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.