SCHEMBL12722326

SCHEMBL12722326

N#CC1=C(C(F)F)NC(C(F)F)=C(C#N)C1c1cc2cn[nH]c2cc1F

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 10/20 0.85
▸ CHEK1 O14757 1/20 0.35
▸ CYP11B2 P19099 1/20 0.34
▸ TRPA1 O75762 5/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CLK2 P49760 1/20 0.31
▸ MAP4K2 Q12851 1/20 0.31
▸ MARK2 Q7KZI7 1/20 0.31
▸ MINK1 Q8N4C8 1/20 0.31
▸ SLK Q9H2G2 1/20 0.31
▸ STK17A Q9UEE5 1/20 0.31

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
SCHEMBL1583297 0.92 MET (1.00) METCHEK1CYP11B2MAPK1CLK2
SCHEMBL15501117 0.88 MET (0.84) METCHEK1CYP11B2TSHRMAPK1
SCHEMBL12722611 0.81 MET (0.61) METCHEK1CYP11B2TRPA1
SCHEMBL1583864 0.79 MET (1.00) METTRPA1MAPK1
SCHEMBL1583878 0.76 MET (0.70) METCYP11B2TRPA1CLK2MAP4K2
SCHEMBL15501118 0.74 MET (0.63) METCLK2MAP4K2MARK2MINK1
SCHEMBL1583367 0.72 MET (0.70) MET
SCHEMBL1583817 0.72 MET (0.70) MET
SCHEMBL1077257 0.71 MET (0.63) METCYP11B2TSHRMAPK1CLK2
SCHEMBL182356 0.69 MET (0.53) METCHEK1CYP11B2TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422263-B2 Fluoro-substituted 3,5-dicyano-4-(1H-indazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine derivatives and methods of use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-23 — — US disclosed
US-9422263-B2 Fluoro-substituted 3,5-dicyano-4-(1H-indazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine derivatives and methods of use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-08-23 — — US disclosed
EP-2485726-B1 FLUORO-SUBSTITUTED 3,5-DICYANO-4-(1H-INDAZOL-5-YL)-2,6-DIMETHYL-1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF BAYER IP GMBH (DE) 2014-03-12 — — EP disclosed
US-20120264785-A1 Fluoro-substituted 3,5-dicyano-4-(1H-indazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine derivatives and methods of use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 — — US disclosed
US-20120264785-A1 Fluoro-substituted 3,5-dicyano-4-(1H-indazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine derivatives and methods of use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-18 — — US disclosed
WO-2011042368-A1 FLUORO-SUBSTITUTED 3,5-DICYANO-4-(1H-INDAZOL-5-YL)-2,6-DIMETHYL-1,4-DIHYDROPYRIDINE DERIVATIVES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-04-14 — — 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-20120264785-A1 Fluoro-substituted 3,5-dicyano-4-(1H-indazol-5-yl)-2,6-dimethyl-1,4-dihydropyridine derivatives and methods of use thereof MET, DCK, RET MET 1/4885CHEK1 496/4885CYP11B2 3856/4885

“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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