SCHEMBL20114679

SCHEMBL20114679

Cc1nc(C)nc(-c2ccc(C#N)c(-n3c4cc(-c5ccccc5C#N)ccc4c4ccc(-c5ccccc5C#N)cc43)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.41
CYP1A2 P05177 4/20 0.40
CYP3A4 P08684 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 3/20 0.40
HPGD P15428 3/20 0.40
NR3C1 P04150 1/20 0.38
MAPK1 P28482 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
GABRA1 P14867 4/20 0.38
GABRG2 P18507 4/20 0.38
GABRB3 P28472 4/20 0.38
GABRA2 P47869 4/20 0.38
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
KDM4E B2RXH2 2/20 0.36
MAT2A P31153 1/20 0.36
PDE10A Q9Y233 1/20 0.36
ESR2 Q92731 1/20 0.35
ALOX5AP P20292 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
SCHEMBL20114682 0.97 TRPA1 (0.39) TRPA1CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL20150304 0.92 AR (0.44) TRPA1CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL20150331 0.91 ALDH1A1 (0.35) CYP1A2ALDH1A1HSD17B10HPGDMAPK1
SCHEMBL19917562 0.90 TRPA1 (0.38) TRPA1CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL20654941 0.90 TRPA1 (0.40) TRPA1CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL20150330 0.90 MAT2A (0.36) CYP1A2ALDH1A1HPGDMAPK1KDM4E
SCHEMBL20150293 0.89 AR (0.41) TRPA1CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL21108375 0.89 TRPA1 (0.41) TRPA1CYP1A2CYP3A4ALDH1A1HSD17B10
SCHEMBL20114668 0.89 ALDH1A1 (0.40) CYP1A2ALDH1A1HSD17B10HPGDMAPK1
SCHEMBL20150334 0.89 L3MBTL1 (0.44) CYP1A2CYP3A4ALDH1A1HSD17B10HPGD

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-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices CYNORA GMBH (DE) 2019-09-24 US disclosed
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 US disclosed
EP-3315581-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-02 EP 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 (2 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-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, EPCAM, F12 TRPA1 299/4885CYP1A2 659/4885CYP3A4 950/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 TRPA1 299/4885CYP1A2 659/4885CYP3A4 950/4885

“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.