SCHEMBL20114637

SCHEMBL20114637

Cc1ccc2c3ccc(C)cc3n(-c3cc(C#N)ccc3-c3nc(C)nc(C)n3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 2/20 0.38
GRM2 Q14416 1/20 0.35
USP14 P54578 1/20 0.35
CYP19A1 P11511 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP2A6 P11509 1/20 0.33
CSNK1A1 P48729 1/20 0.32
CSNK1D P48730 1/20 0.32
GSK3B P49841 1/20 0.32
CSNK1G2 P78368 1/20 0.32
USP8 P40818 1/20 0.32
USP7 Q93009 1/20 0.32
EGLN2 Q96KS0 3/20 0.31
SETDB1 Q15047 1/20 0.31
TDP2 O95551 2/20 0.31
CRHR1 P34998 2/20 0.31
MAT2A P31153 1/20 0.30
BRD4 O60885 1/20 0.30
BRD2 P25440 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
SCHEMBL20114635 0.94 ITK (0.35) ITKGRM2USP14CYP19A1ALDH1A1
SCHEMBL20114538 0.94 TDP2 (0.34) ITKUSP14EGLN2SETDB1TDP2
SCHEMBL20150346 0.91 CHEK1 (0.36) ITKGRM2ALDH1A1CYP2A6CSNK1A1
SCHEMBL20150341 0.90 HCRTR1 (0.35) ITKMAT2A
SCHEMBL20150376 0.90 ITK (0.36) ITKGRM2USP14CYP19A1ALDH1A1
SCHEMBL20150352 0.90 CYP11B1 (0.37) ITKGRM2EGLN2
SCHEMBL20150372 0.89 CYP11B2 (0.34) ITKGRM2ALDH1A1EGLN2SETDB1
SCHEMBL20114562 0.88 CHEK1 (0.40) GRM2EGLN2
SCHEMBL20114537 0.88 PTGER4 (0.36) ALDH1A1TDP2MAT2A
SCHEMBL20114568 0.88 MAPK14 (0.36) GRM2ALDH1A1

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 470/4885GRM2 1828/4885USP14 4453/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 ITK 470/4885GRM2 1828/4885USP14 4453/4885

“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.