SCHEMBL20156176

SCHEMBL20156176

Cc1nc(C)nc(-c2cc(C#N)ccc2-n2c3ccccc3c3ccc(C#N)cc32)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.36
TDP2 O95551 4/20 0.35
CASP3 P42574 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
EGFR P00533 2/20 0.33
ELANE P08246 1/20 0.32
JAK2 O60674 1/20 0.32
PRKD3 O94806 1/20 0.32
ABL1 P00519 1/20 0.32
ERBB2 P04626 1/20 0.32
LCK P06239 1/20 0.32
CDK1 P06493 1/20 0.32
CSF1R P07333 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
SCHEMBL20114551 0.94 TDO2 (0.35) PTGER4CASP3GABRA1GABRG2GABRB3
SCHEMBL20114573 0.94 CASP3 (0.38) TDP2CASP3GABRA1GABRG2GABRB3
SCHEMBL20655191 0.93 PTGER4 (0.38) PTGER4TDP2GABRA1GABRG2GABRB3
SCHEMBL20114694 0.93 PTGER4 (0.38) PTGER4CASP3GABRA1GABRG2GABRB3
SCHEMBL20150379 0.93 PTGER4 (0.34) PTGER4TDP2CASP3GABRA1GABRG2
SCHEMBL20114572 0.93 PTGER4 (0.34) PTGER4TDP2CASP3GABRA1GABRG2
SCHEMBL20156218 0.92 PTGER4 (0.39) PTGER4GABRA1GABRG2GABRB3GABRA5
SCHEMBL20150380 0.91 PTGER4 (0.37) PTGER4GABRA1GABRG2GABRB3GABRA5
SCHEMBL19943178 0.91 PTGER4 (0.35) PTGER4TDP2CA1CA2EGFR
SCHEMBL20114537 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 2 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
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 US 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 4152/4885CASP3 4223/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 PTGER4 1809/4885TDP2 4152/4885CASP3 4223/4885

“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.