SCHEMBL2853948

SCHEMBL2853948

COc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1Oc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRAF P15056 14/20 0.58
SETD7 Q8WTS6 1/20 0.55
MAPT P10636 4/20 0.51
LMNA P02545 2/20 0.51
RGS12 O14924 1/20 0.51
ALDH1A1 P00352 1/20 0.51
APOBEC3A P31941 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
HTT P42858 2/20 0.49
CYP2C9 P11712 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
RAB9A P51151 1/20 0.48
ALOX5 P09917 1/20 0.48
KDR P35968 1/20 0.47

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
SCHEMBL2855860 0.90 BRAF (0.54) BRAFMAPTLMNAALDH1A1CYP2C9
SCHEMBL2854041 0.90 BRAF (0.54) BRAFSETD7MAPTLMNARGS12
SCHEMBL2859826 0.90 BRAF (0.53) BRAFSETD7MAPTLMNARGS12
SCHEMBL2855481 0.89 BRAF (0.53) BRAFMAPTCYP2C9KDR
SCHEMBL2196130 0.88 SETD7 (0.59) BRAFSETD7MAPTLMNAALDH1A1
SCHEMBL2851503 0.87 BRAF (0.61) BRAFMAPTCYP2C9
SCHEMBL2851508 0.87 BRAF (0.57) BRAFMAPTLMNARGS12ALDH1A1
SCHEMBL17220585 0.83 SETD7 (0.51) BRAFSETD7HTTCYP2C9KDR
SCHEMBL2857192 0.83 SETD7 (0.53) BRAFSETD7MAPTLMNARGS12

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 1/4885SETD7 727/4885MAPT 4439/4885

“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.