SCHEMBL2854041

SCHEMBL2854041

CC(C)(C#N)c1cccc(C(=O)Nc2ccc(C#N)c(Oc3ccc([N+](=O)[O-])cn3)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BRAF P15056 18/20 0.54
CYP2C9 P11712 5/20 0.49
KDR P35968 1/20 0.46
SETD7 Q8WTS6 1/20 0.44
RGS12 O14924 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 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
SCHEMBL2851567 0.91 BRAF (0.61) BRAFCYP2C9
SCHEMBL2853948 0.90 BRAF (0.58) BRAFCYP2C9KDRSETD7RGS12
SCHEMBL2855860 0.90 BRAF (0.54) BRAFCYP2C9KDRALDH1A1LMNA
SCHEMBL2859826 0.90 BRAF (0.53) BRAFCYP2C9KDRSETD7RGS12
SCHEMBL2855481 0.89 BRAF (0.53) BRAFCYP2C9KDRMAPT
SCHEMBL2851508 0.87 BRAF (0.57) BRAFCYP2C9KDRRGS12ALDH1A1
SCHEMBL2855671 0.87 BRAF (0.57) BRAFCYP2C9
SCHEMBL2859800 0.80 BRAF (0.46) BRAFCYP2C9KDRRGS12ALDH1A1
SCHEMBL827385 0.80 BRAF (0.58) BRAFKDRSETD7ALDH1A1LMNA
SCHEMBL2851377 0.80 BRAF (0.53) BRAFCYP2C9ALDH1A1MAPT

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 1/4885CYP2C9 2054/4885KDR 983/4885

“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.