SCHEMBL20150377

SCHEMBL20150377

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.36
CSNK1D P48730 5/20 0.34
CSNK1G2 P78368 4/20 0.33
RORC P51449 1/20 0.33
CCR9 P51686 1/20 0.33
KIF11 P52732 2/20 0.32
CSNK1A1 P48729 1/20 0.31
GSK3B P49841 1/20 0.31
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA5 P31644 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 1/20 0.30
ACSS2 Q9NR19 1/20 0.30
CASP3 P42574 1/20 0.30

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
SCHEMBL20114693 0.95 CSNK1D (0.36) PTGER4CSNK1DCSNK1G2CCR9KIF11
SCHEMBL20150337 0.92 PTGER4 (0.36) PTGER4CSNK1DCSNK1G2RORCCCR9
SCHEMBL20150382 0.91 KIF11 (0.42) PTGER4KIF11
SCHEMBL20156176 0.90 PTGER4 (0.36) PTGER4CSNK1DCSNK1G2CSNK1A1GABRA1
SCHEMBL21089850 0.89 CYP1A2 (0.38) PTGER4KIF11GABRA1GABRG2GABRB3
SCHEMBL19942754 0.88 CYP1A2 (0.32) PTGER4KIF11
SCHEMBL20114551 0.87 TDO2 (0.35) PTGER4GABRA1GABRG2GABRB3GABRA5
SCHEMBL20114694 0.86 PTGER4 (0.38) PTGER4GABRA1GABRG2GABRB3GABRA5
SCHEMBL20150379 0.86 PTGER4 (0.34) PTGER4GABRA1GABRG2GABRB3GABRA5
SCHEMBL20114572 0.86 PTGER4 (0.34) PTGER4GABRA1GABRG2GABRB3GABRA5

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
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 (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 PTGER4 1809/4885CSNK1D 1745/4885CSNK1G2 1194/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 PTGER4 1809/4885CSNK1D 1745/4885CSNK1G2 1194/4885

“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.