SCHEMBL20114538

SCHEMBL20114538

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 8/20 0.34
USP14 P54578 1/20 0.33
ITK Q08881 1/20 0.33
SETDB1 Q15047 1/20 0.33
EGLN2 Q96KS0 3/20 0.32
CASP3 P42574 1/20 0.32
CRHR1 P34998 1/20 0.32
MAT2A P31153 1/20 0.32
BRD4 O60885 1/20 0.32
BRD2 P25440 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 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
SCHEMBL20114537 0.94 PTGER4 (0.36) TDP2MAT2A
SCHEMBL20114637 0.94 ITK (0.38) TDP2USP14ITKSETDB1EGLN2
SCHEMBL20150372 0.92 CYP11B2 (0.34) TDP2ITKSETDB1EGLN2CYP11B1
SCHEMBL20114562 0.91 CHEK1 (0.40) EGLN2CYP11B1CYP11B2
SCHEMBL20150346 0.89 CHEK1 (0.36) ITKCYP11B1CYP11B2
SCHEMBL20115142 0.89 CHEK1 (0.34) CYP11B1CYP11B2
SCHEMBL20114529 0.89 CSNK1D (0.36) CYP11B2
SCHEMBL20114573 0.89 CASP3 (0.38) TDP2USP14SETDB1CASP3CRHR1
SCHEMBL21108305 0.88 CRHR1 (0.33) TDP2USP14SETDB1CASP3CRHR1
SCHEMBL20114543 0.88 CHEK1 (0.36) TDP2CYP11B1CYP11B2

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 TDP2 4152/4885USP14 4453/4885ITK 470/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 TDP2 4152/4885USP14 4453/4885ITK 470/4885

“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.