SCHEMBL20150337

SCHEMBL20150337

Cc1nc(C)nc(-c2ccc(C#N)cc2-n2c3ccccc3c3ccc(C(C)(C)C)cc32)n1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.36
CSNK1D P48730 5/20 0.34
RORC P51449 1/20 0.33
CCR9 P51686 1/20 0.33
CSNK1G2 P78368 4/20 0.33
NR1I2 O75469 1/20 0.32
KIF11 P52732 2/20 0.32
CSNK1A1 P48729 1/20 0.31
GSK3B P49841 1/20 0.31
ACSS2 Q9NR19 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
SCHEMBL20114529 0.95 CSNK1D (0.36) PTGER4CSNK1DCCR9CSNK1G2NR1I2
SCHEMBL20150377 0.92 PTGER4 (0.36) PTGER4CSNK1DRORCCCR9CSNK1G2
SCHEMBL20114533 0.91 KIF11 (0.42) PTGER4KIF11
SCHEMBL20114537 0.90 PTGER4 (0.36) PTGER4
SCHEMBL21108750 0.88 PTGER4 (0.36) PTGER4CSNK1DRORCCCR9KIF11
SCHEMBL19942754 0.88 CYP1A2 (0.32) PTGER4KIF11
SCHEMBL20114635 0.87 ITK (0.35) PTGER4
SCHEMBL20150338 0.86 PTGER4 (0.34) PTGER4GSK3B
SCHEMBL20150371 0.86 PTGER4 (0.38) PTGER4
SCHEMBL20114542 0.86 PTGER4 (0.34) PTGER4GSK3B

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 1745/4885RORC 2903/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 PTGER4 1809/4885CSNK1D 1745/4885RORC 2903/4885

“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.