SCHEMBL12808129

SCHEMBL12808129

CCC1=C(C#N)C(c2ccc3[nH]nc(C)c3c2)C(C#N)=C(C(F)F)N1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MET P08581 19/20 0.55
RPS6KA3 P51812 1/20 0.42
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DRD5 P21918 1/20 0.35
HTR2C P28335 1/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL1583435 0.90 MET (0.62) METRPS6KA3DRD5HTR2CHTR6
SCHEMBL12808127 0.88 MET (0.51) METRPS6KA3DRD5HTR2CHTR6
SCHEMBL1583727 0.87 MET (0.71) METRPS6KA3KDM4EALDH1A1MAPT
SCHEMBL12807922 0.84 MET (0.56) METRPS6KA3KDM4EALDH1A1MAPT
SCHEMBL1583574 0.84 MET (0.56) METRPS6KA3DRD5HTR2CHTR6
SCHEMBL1583372 0.83 MET (0.57) METRPS6KA3KDM4EALDH1A1MAPT
SCHEMBL1983683 0.82 MET (0.61) METRPS6KA3KDM4EALDH1A1MAPT
SCHEMBL1993082 0.81 MET (0.62) METRPS6KA3ALDH1A1DRD5HTR2C
SCHEMBL12595668 0.81 MET (0.56) METRPS6KA3ALDH1A1HSD17B10DRD5
SCHEMBL1077503 0.80 MET (0.51) METRPS6KA3KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120270905-A1 FLUORINATED 2,6-DIALKYL-3,5-DICYANO-4-(1H-INDAZOL-5-YL)-1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-25 US disclosed
US-20120270905-A1 FLUORINATED 2,6-DIALKYL-3,5-DICYANO-4-(1H-INDAZOL-5-YL)-1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-25 US disclosed
WO-2011042367-A1 FLUORINATED 2,6-DIALKYL-3,5-DICYANO-4-(1H-INDAZOL-5-YL)-1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF BAYER SCHERING PHARMA AG (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-20120270905-A1 FLUORINATED 2,6-DIALKYL-3,5-DICYANO-4-(1H-INDAZOL-5-YL)-1,4-DIHYDROPYRIDINES AND METHODS OF USE THEREOF MET, DCK, RET MET 1/4885RPS6KA3 434/4885KDM4E 838/4885

“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.