SCHEMBL14353073

SCHEMBL14353073

Cc1n[nH]c2cc(F)c(C=C(C#N)C(=O)c3ccc(F)cc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.46
ERBB2 P04626 3/20 0.46
MAPT P10636 6/20 0.39
ALDH1A1 P00352 6/20 0.39
KMT2A Q03164 5/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPK1 P28482 3/20 0.39
MEN1 O00255 3/20 0.39
HPGD P15428 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
LMNA P02545 3/20 0.39
USP2 O75604 2/20 0.39
TP53 P04637 2/20 0.39
CYP1A2 P05177 2/20 0.39
POLB P06746 2/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 2/20 0.39
ALOX12 P18054 2/20 0.39
THPO P40225 2/20 0.39
RECQL P46063 2/20 0.39

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
SCHEMBL12595594 1.00 EGFR (0.46) EGFRERBB2MAPTALDH1A1KMT2A
SCHEMBL14353071 1.00 EGFR (0.46) EGFRERBB2MAPTALDH1A1KMT2A
SCHEMBL14353293 0.92 KDM4E (0.38) EGFRERBB2MAPTALDH1A1KMT2A
SCHEMBL14353292 0.92 KDM4E (0.38) EGFRERBB2MAPTALDH1A1KMT2A
SCHEMBL12596373 0.92 KDM4E (0.38) EGFRERBB2MAPTALDH1A1KMT2A
SCHEMBL561254 0.84 ALDH1A1 (0.37) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL561253 0.84 ALDH1A1 (0.37) MAPTALDH1A1KMT2AKDM4EMEN1
SCHEMBL562281 0.69 ADORA2A (0.44) MAPTALDH1A1KMT2AKDM4EMAPK1
SCHEMBL10212410 0.68 ADORA2A (0.34)
SCHEMBL182613 0.65 NEK2 (0.51) EGFRERBB2MAPTALDH1A1KMT2A

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
EP-2499124-B1 FLUORO-SUBSTITUTED 2-ARYL-3,5-DICYANO-4-INDAZOLYL-6-METHYL-1,4-DIHYDROPYRIDINES AND USES THEREOF BAYER IP GMBH (DE) 2015-08-19 EP disclosed
US-9018234-B2 Fluoro-substituted 2-aryl-3,5-dicyano-4-indazolyl-6-methyl-1,4-dihydropyridines and uses thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-04-28 US disclosed
US-20130005773-A1 FLUORO-SUBSTITUTED 2-ARYL-3,5-DICYANO-4-INDAZOLYL-6-METHYL-1,4-DIHYDROPYRIDINES AND USES THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-03 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-20130005773-A1 FLUORO-SUBSTITUTED 2-ARYL-3,5-DICYANO-4-INDAZOLYL-6-METHYL-1,4-DIHYDROPYRIDINES AND USES THEREOF MET, RET, ABL1 EGFR 48/4885ERBB2 5/4885MAPT 3445/4885

“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.