SCHEMBL20150379

SCHEMBL20150379

Cc1nc(C)nc(-c2cc(C#N)ccc2-n2c3ccccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.34
MAT2A P31153 1/20 0.33
TDP2 O95551 9/20 0.33
USP14 P54578 2/20 0.33
BRD4 O60885 1/20 0.32
RPS6KB1 P23443 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
PDE10A Q9Y233 1/20 0.32
CASP3 P42574 1/20 0.32

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
SCHEMBL20114572 1.00 PTGER4 (0.34) PTGER4MAT2ATDP2USP14BRD4
SCHEMBL20156176 0.93 PTGER4 (0.36) PTGER4TDP2GABRA1GABRG2GABRB3
SCHEMBL20150338 0.91 PTGER4 (0.34) PTGER4MAT2ATDP2USP14BRD4
SCHEMBL20114542 0.91 PTGER4 (0.34) PTGER4MAT2ATDP2USP14BRD4
SCHEMBL20114551 0.90 TDO2 (0.35) PTGER4USP14GABRA1GABRG2GABRB3
SCHEMBL20114694 0.89 PTGER4 (0.38) PTGER4GABRA1GABRG2GABRB3GABRA5
SCHEMBL20156218 0.88 PTGER4 (0.39) PTGER4GABRA1GABRG2GABRB3GABRA5
SCHEMBL20114573 0.87 CASP3 (0.38) MAT2ATDP2USP14GABRA1GABRG2
SCHEMBL20150380 0.87 PTGER4 (0.37) PTGER4GABRA1GABRG2GABRB3GABRA5
SCHEMBL20996886 0.87 CYP1A2 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 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-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, EPCAM, F12 PTGER4 1809/4885MAT2A 2283/4885TDP2 4152/4885

“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.