SCHEMBL20114542

SCHEMBL20114542

Cc1nc(C)nc(-c2ccc(C#N)cc2-n2c3cc(-n4c5ccccc5c5ccccc54)ccc3c3ccc(-n4c5ccccc5c5ccccc54)cc32)n1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.34
MAT2A P31153 2/20 0.33
TDP2 O95551 9/20 0.33
USP14 P54578 2/20 0.33
RPS6KB1 P23443 2/20 0.32
PDE10A Q9Y233 1/20 0.32
BRD4 O60885 1/20 0.31
BRD2 P25440 1/20 0.31
GSK3B P49841 1/20 0.31

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
SCHEMBL20150338 1.00 PTGER4 (0.34) PTGER4MAT2ATDP2USP14RPS6KB1
SCHEMBL20114537 0.93 PTGER4 (0.36) PTGER4MAT2ATDP2PDE10A
SCHEMBL20150379 0.91 PTGER4 (0.34) PTGER4MAT2ATDP2USP14RPS6KB1
SCHEMBL20114572 0.91 PTGER4 (0.34) PTGER4MAT2ATDP2USP14RPS6KB1
SCHEMBL20114635 0.90 ITK (0.35) PTGER4TDP2USP14PDE10A
SCHEMBL20150371 0.89 PTGER4 (0.38) PTGER4PDE10A
SCHEMBL20114643 0.88 PTGER4 (0.39) PTGER4PDE10A
SCHEMBL20114538 0.87 TDP2 (0.34) MAT2ATDP2USP14BRD4BRD2
SCHEMBL20114526 0.87 PTGER4 (0.37) PTGER4PDE10AGSK3B
SCHEMBL20150423 0.87 ALDH1A1 (0.35) PTGER4MAT2ATDP2USP14

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 PTGER4 1809/4885MAT2A 2283/4885TDP2 4152/4885
US-10421746-B2 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.