SCHEMBL20114569

SCHEMBL20114569

Cc1nc(C)nc(-c2ccc(C#N)cc2-n2c3cc(-c4cccc(C#N)c4)ccc3c3ccc(-c4cccc(C#N)c4)cc32)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 6/20 0.38
CYP1A2 P05177 5/20 0.38
CYP3A4 P08684 5/20 0.38
ALDH1A1 P00352 4/20 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
PGR P06401 2/20 0.37
ALDH1A3 P47895 1/20 0.37
IDO1 P14902 1/20 0.36
LRRK2 Q5S007 1/20 0.36
CYP2C19 P33261 2/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
F11 P03951 1/20 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
SCHEMBL20156124 0.96 CYP1A2 (0.38) CLK4CYP1A2CYP3A4ALDH1A1MEN1
SCHEMBL20114568 0.94 MAPK14 (0.36) CLK4CYP1A2CYP3A4ALDH1A1MEN1
SCHEMBL20114543 0.93 CHEK1 (0.36) CLK4CYP1A2CYP3A4ALDH1A1MEN1
SCHEMBL20115142 0.92 CHEK1 (0.34) KMT2ACHEK1
SCHEMBL20114562 0.92 CHEK1 (0.40) MEN1KMT2APGRCHEK1MAP4K4
SCHEMBL22268543 0.91 ABCG2 (0.42) CLK4CYP1A2CYP3A4ALDH1A1MEN1
SCHEMBL20114549 0.91 CLK4 (0.41) CLK4CYP1A2CYP3A4ALDH1A1MEN1
SCHEMBL20114586 0.91 CLK4 (0.38) CLK4CYP1A2CYP3A4ALDH1A1MEN1
SCHEMBL20150372 0.91 CYP11B2 (0.34) CLK4CYP1A2CYP3A4ALDH1A1MEN1
SCHEMBL20114526 0.90 PTGER4 (0.37) CLK4CYP1A2CYP3A4ALDH1A1MEN1

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