SCHEMBL2851377

SCHEMBL2851377

Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1NC(=O)c1cccc(C(C)(C)C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.53
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP2C9 P11712 5/20 0.47
HPGD P15428 2/20 0.46
HTT P42858 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.45
HCK P08631 1/20 0.43
NR2C2 P49116 1/20 0.43
BTK Q06187 1/20 0.43

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
SCHEMBL2197297 0.89 KMT2A (0.56) BRAFMAPTALDH1A1CYP2C9HPGD
SCHEMBL2851508 0.87 BRAF (0.57) BRAFMAPTALDH1A1CYP2C9GAA
SCHEMBL2851307 0.86 BRAF (0.56) BRAFMAPTCYP2C9GAAHCK
SCHEMBL2851567 0.85 BRAF (0.61) BRAFCYP2C9
SCHEMBL2858573 0.83 MAPT (0.48) BRAFMAPTALDH1A1HPGDHTT
SCHEMBL2859800 0.81 BRAF (0.46) BRAFMAPTALDH1A1CYP2C9MEN1
SCHEMBL2855860 0.80 BRAF (0.54) BRAFMAPTALDH1A1CYP2C9MEN1
SCHEMBL2853948 0.80 BRAF (0.58) BRAFMAPTALDH1A1CYP2C9HTT
SCHEMBL2854041 0.80 BRAF (0.54) BRAFMAPTALDH1A1CYP2C9
SCHEMBL2859826 0.79 BRAF (0.53) BRAFMAPTALDH1A1CYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
US-8344135-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-01 US disclosed
US-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 US disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 EP 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-20100249119-A1 HETEROCYCLIC COMPOUND AND USE THEREOF BRAF, NRAS, RAF1 BRAF 1/4885MAPT 4439/4885ALDH1A1 625/4885

“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.