SCHEMBL20114574

SCHEMBL20114574

Cc1nc(C)nc(-c2cc(C#N)ccc2-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.39
GABRA5 P31644 3/20 0.39
GABRA3 P34903 3/20 0.39
GABRA2 P47869 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
CHEK1 O14757 1/20 0.36
CYP1A2 P05177 3/20 0.36
CYP2C19 P33261 3/20 0.36
CYP2C9 P11712 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ATM Q13315 1/20 0.35
CLK4 Q9HAZ1 3/20 0.35
CSNK1A1 P48729 2/20 0.35
CSNK1D P48730 2/20 0.35
CSNK1G2 P78368 2/20 0.35
JAK2 O60674 1/20 0.35
PRKD3 O94806 1/20 0.35

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
SCHEMBL20150380 0.97 PTGER4 (0.37) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL20114587 0.94 CHEK1 (0.40) CHEK1MEN1KMT2AATMPTGER4
SCHEMBL20114661 0.94 L3MBTL1 (0.40) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL21090059 0.94 L3MBTL1 (0.40) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL20156218 0.94 PTGER4 (0.39) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL20114586 0.93 CLK4 (0.38) CHEK1CYP1A2CYP2C19CYP2C9MEN1
SCHEMBL20150391 0.92 CHEK1 (0.36) CHEK1NPSR1KMT2ACSNK1A1CSNK1D
SCHEMBL20150415 0.92 PTGER4 (0.36) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL20156170 0.92 CYP1A2 (0.38) GABRA1GABRA5GABRA3GABRA2GABRG2
SCHEMBL20150387 0.91 MAPK14 (0.36) GABRA1GABRA5GABRA3GABRA2GABRG2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 GABRA1 2614/4885GABRA5 3393/4885GABRA3 2845/4885

“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.