SCHEMBL12722611

SCHEMBL12722611

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

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 7/20 0.61
▸ TRPA1 O75762 9/20 0.41
▸ METAP2 P50579 1/20 0.37
▸ CDC42BPA Q5VT25 1/20 0.36
▸ PBK Q96KB5 1/20 0.36
▸ SRPK1 Q96SB4 1/20 0.36
▸ CHEK1 O14757 1/20 0.35
▸ TRPM8 Q7Z2W7 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34

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
SCHEMBL1583878 0.92 MET (0.70) METTRPA1TRPM8CYP11B2
SCHEMBL562093 0.83 MET (0.47) METTRPA1
SCHEMBL12722326 0.81 MET (0.85) METTRPA1CHEK1CYP11B2
SCHEMBL12722397 0.77 MET (0.46) METCDC42BPAPBKSRPK1
SCHEMBL1583297 0.76 MET (1.00) METCHEK1CYP11B2
SCHEMBL1583928 0.73 MET (1.00) METTRPA1TRPM8
SCHEMBL1583681 0.72 MET (0.53) METCDC42BPAPBKSRPK1
SCHEMBL15501117 0.72 MET (0.84) METCDC42BPAPBKSRPK1CHEK1
SCHEMBL1077257 0.71 MET (0.63) METCDC42BPAPBKSRPK1CYP11B2
SCHEMBL182356 0.69 MET (0.53) METCDC42BPAPBKSRPK1CHEK1

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 7 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
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 1/4885TRPA1 3933/4885METAP2 208/4885

“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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