SCHEMBL20114537

SCHEMBL20114537

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

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.36
TDP2 O95551 7/20 0.35
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
ELANE P08246 1/20 0.32
ENPP3 O14638 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
GRM5 P41594 1/20 0.32
PDE10A Q9Y233 1/20 0.32
MAT2A P31153 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
SCHEMBL20114635 0.94 ITK (0.35) PTGER4TDP2CA1CA2ELANE
SCHEMBL20114538 0.94 TDP2 (0.34) TDP2MAT2A
SCHEMBL20114542 0.93 PTGER4 (0.34) PTGER4TDP2PDE10AMAT2A
SCHEMBL20150371 0.93 PTGER4 (0.38) PTGER4ELANEKDM4EALDH1A1PDE10A
SCHEMBL20150338 0.93 PTGER4 (0.34) PTGER4TDP2PDE10AMAT2A
SCHEMBL20114643 0.92 PTGER4 (0.39) PTGER4ELANEPDE10A
SCHEMBL20114526 0.91 PTGER4 (0.37) PTGER4ALDH1A1PDE10A
SCHEMBL19943178 0.91 PTGER4 (0.35) PTGER4TDP2CA1CA2ELANE
SCHEMBL22268462 0.91 ABCG2 (0.37) PTGER4TDP2CA1CA2GRM5
SCHEMBL20156176 0.91 PTGER4 (0.36) PTGER4TDP2CA1CA2ELANE

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 4 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
EP-3315581-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-02 EP 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 1809/4885TDP2 4152/4885CA1 885/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 PTGER4 1809/4885TDP2 4152/4885CA1 885/4885

“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.