SCHEMBL20114635

SCHEMBL20114635

Cc1ccc2c3ccccc3n(-c3cc(C#N)ccc3-c3nc(C)nc(C)n3)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 2/20 0.35
PTGER4 P35408 2/20 0.35
ELANE P08246 2/20 0.33
F2 P00734 1/20 0.33
PLAU P00749 1/20 0.33
CTRB1 P17538 1/20 0.33
USP14 P54578 1/20 0.32
GRM2 Q14416 2/20 0.32
PDE10A Q9Y233 1/20 0.32
CYP19A1 P11511 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
TDP2 O95551 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTT P42858 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
LMNA P02545 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
SCHEMBL20114537 0.94 PTGER4 (0.36) PTGER4ELANEPDE10ACA1CA2
SCHEMBL20114637 0.94 ITK (0.38) ITKUSP14GRM2CYP19A1TDP2
SCHEMBL20114689 0.92 PTGER4 (0.36) PTGER4GRM2PDE10AL3MBTL1KDM4E
SCHEMBL20114551 0.91 TDO2 (0.35) ITKPTGER4ELANEF2PLAU
SCHEMBL20114687 0.91 PTGER4 (0.35) ITKPTGER4ELANEF2PLAU
SCHEMBL20150338 0.90 PTGER4 (0.34) PTGER4USP14PDE10ATDP2
SCHEMBL20150371 0.90 PTGER4 (0.38) PTGER4ELANEPDE10AKDM4EALDH1A1
SCHEMBL20114542 0.90 PTGER4 (0.34) PTGER4USP14PDE10ATDP2
SCHEMBL20114546 0.90 PTGER4 (0.37) PTGER4ELANEF2PLAUCTRB1
SCHEMBL20114643 0.89 PTGER4 (0.39) PTGER4ELANEPDE10A

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 5 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
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 ITK 470/4885PTGER4 1809/4885ELANE 3607/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 ITK 470/4885PTGER4 1809/4885ELANE 3607/4885

“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.