SCHEMBL16984557

SCHEMBL16984557

Cc1cc(/C=C/C#N)cc(C)c1Oc1cc(Nc2ccc(C#N)cc2)c([N+](=O)[O-])cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MERTK Q12866 2/20 0.44
▸ CYP2C9 P11712 6/20 0.42
▸ CYP2C19 P33261 6/20 0.42
▸ KCNH2 Q12809 4/20 0.42
▸ CYP3A4 P08684 4/20 0.42
▸ CYP2D6 P10635 4/20 0.42
▸ CYP1A2 P05177 3/20 0.40
▸ ABCG2 Q9UNQ0 2/20 0.40
▸ MAPK1 P28482 1/20 0.38
▸ MAPT P10636 4/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH3A1 P30838 2/20 0.33
▸ AR P10275 1/20 0.32
▸ PLA2G7 Q13093 1/20 0.32
▸ ABCC3 O15438 1/20 0.32

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
SCHEMBL16984559 0.85 MERTK (0.44) MERTKCYP2C9CYP2C19KCNH2CYP3A4
SCHEMBL16969469 0.83 MERTK (0.44) MERTKMAPK1MAPTKMT2AMEN1
SCHEMBL16984561 0.82 MERTK (0.43) MERTKCYP2C9CYP2C19KCNH2CYP3A4
SCHEMBL16984625 0.82 MERTK (0.43) MERTKCYP2C9CYP2C19KCNH2CYP3A4
SCHEMBL2898995 0.78 MERTK (0.59) MERTKCYP2C9CYP2C19KCNH2CYP3A4
SCHEMBL2896050 0.77 MERTK (0.58) MERTKCYP2C9CYP2C19KCNH2CYP3A4
SCHEMBL16984626 0.77 MERTK (0.43) MERTKCYP2C9CYP2C19KCNH2CYP3A4
SCHEMBL16984623 0.76 MERTK (0.43) MERTKCYP2C9CYP2C19KCNH2CYP3A4
SCHEMBL718855 0.76 CYP2C9 (0.48) MERTKCYP2C9CYP2C19KCNH2CYP3A4
SCHEMBL2902504 0.75 MERTK (0.56) MERTKCYP2C9CYP2C19KCNH2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9340492-B2 Meta-Diarylaniline or meta-diarylpyridinamine compound, preparation method and medical uses thereof INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2016-05-17 — — US disclosed
US-20150218088-A1 META-DIARYLANILINE OR META-DIARYLPYRIDINAMINE COMPOUND, PREPARATION METHOD AND MEDICAL USES THEREOF INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2015-08-06 — — US 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-20150218088-A1 META-DIARYLANILINE OR META-DIARYLPYRIDINAMINE COMPOUND, PREPARATION METHOD AND MEDICAL USES THEREOF QDPR, COMT, CYP2D6 MERTK 3962/4885CYP2C9 15/4885CYP2C19 6/4885

“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.

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