SCHEMBL20114588

SCHEMBL20114588

Cc1nc(C)nc(-c2cc(C#N)ccc2-n2c3ccc(-c4cccc(C#N)c4)cc3c3cc(-c4cccc(C#N)c4)ccc32)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.41
CLK4 Q9HAZ1 6/20 0.41
CYP3A4 P08684 6/20 0.41
ALDH1A1 P00352 5/20 0.41
MAP4K4 O95819 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
USP2 O75604 1/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A3 P47895 1/20 0.37
PTGER4 P35408 1/20 0.37
PGR P06401 2/20 0.36
LRRK2 Q5S007 1/20 0.36
TSHR P16473 3/20 0.36
CYP2C19 P33261 2/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
HSD17B10 Q99714 2/20 0.36

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
SCHEMBL20655478 0.94 CYP1A2 (0.40) CYP1A2CLK4CYP3A4ALDH1A1MAP4K4
SCHEMBL20114586 0.91 CLK4 (0.38) CYP1A2CLK4CYP3A4ALDH1A1MAP4K4
SCHEMBL20114549 0.91 CLK4 (0.41) CYP1A2CLK4CYP3A4ALDH1A1MAP4K4
SCHEMBL20655388 0.91 CYP1A2 (0.42) CYP1A2CLK4CYP3A4ALDH1A1MEN1
SCHEMBL20150396 0.90 MAPKAPK2 (0.37) ALDH1A1MAP4K4PTGER4PGRKDM4E
SCHEMBL20156170 0.89 CYP1A2 (0.38) CYP1A2CLK4CYP3A4ALDH1A1MEN1
SCHEMBL20114579 0.89 L3MBTL1 (0.40) CYP1A2CLK4CYP3A4ALDH1A1MEN1
SCHEMBL21364272 0.89 CYP1A2 (0.43) CYP1A2CLK4CYP3A4ALDH1A1MEN1
SCHEMBL21364665 0.88 CYP1A2 (0.46) CYP1A2CLK4CYP3A4ALDH1A1MEN1
SCHEMBL20156167 0.88 CYP1A2 (0.44) CYP1A2CLK4CYP3A4ALDH1A1MAP4K4

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
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
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 CYP1A2 659/4885CLK4 3356/4885CYP3A4 950/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 CYP1A2 659/4885CLK4 3356/4885CYP3A4 950/4885

“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.