SCHEMBL20114573

SCHEMBL20114573

Cc1nc(C)nc(-c2cc(C#N)ccc2-n2c3cc(C#N)ccc3c3ccc(C#N)cc32)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.38
SETDB1 Q15047 1/20 0.35
TDP2 O95551 8/20 0.34
CRHR1 P34998 3/20 0.34
USP14 P54578 1/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA1 P14867 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
MAT2A P31153 1/20 0.32

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
SCHEMBL20156176 0.94 PTGER4 (0.36) CASP3SETDB1TDP2GABRG2GABRB3
SCHEMBL20150376 0.94 ITK (0.36) CASP3SETDB1TDP2CRHR1USP14
SCHEMBL20150412 0.92 CASP3 (0.35) CASP3SETDB1CRHR1GABRG2GABRB3
SCHEMBL20648358 0.92 CYP11B2 (0.34) CASP3SETDB1TDP2CRHR1USP14
SCHEMBL20114587 0.91 CHEK1 (0.40) CASP3SETDB1
SCHEMBL20150391 0.89 CHEK1 (0.36) CASP3SETDB1
SCHEMBL20114692 0.89 CHEK1 (0.34) CASP3
SCHEMBL20114693 0.89 CSNK1D (0.36) CASP3SETDB1CRHR1
SCHEMBL20114538 0.89 TDP2 (0.34) CASP3SETDB1TDP2CRHR1USP14
SCHEMBL21108305 0.88 CRHR1 (0.33) CASP3SETDB1TDP2CRHR1USP14

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 CASP3 4223/4885SETDB1 1853/4885TDP2 4152/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 CASP3 4223/4885SETDB1 1853/4885TDP2 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.