SCHEMBL20114673

SCHEMBL20114673

Cc1nc(C)nc(-c2ccc(C#N)c(-n3c4ccccc4c4ccc(-c5cccc(C#N)c5)cc43)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 11/20 0.42
CYP3A4 P08684 10/20 0.42
CYP2D6 P10635 7/20 0.42
CLK4 Q9HAZ1 7/20 0.42
ALDH1A1 P00352 6/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
LMNA P02545 5/20 0.42
TSHR P16473 5/20 0.42
CYP2C19 P33261 5/20 0.42
HSD17B10 Q99714 4/20 0.42
CYP2C9 P11712 4/20 0.42
MAPK1 P28482 2/20 0.42
TP53 P04637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
USP2 O75604 4/20 0.37
HRH4 Q9H3N8 1/20 0.37
ALOX15 P16050 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL20156257 0.96 CYP1A2 (0.40) CYP1A2CYP3A4CYP2D6CLK4ALDH1A1
SCHEMBL20156172 0.93 CYP1A2 (0.34) CYP1A2CYP3A4CYP2D6CLK4ALDH1A1
SCHEMBL20114678 0.92 PTGER4 (0.37) CYP1A2CYP3A4CYP2D6CLK4ALDH1A1
SCHEMBL20114523 0.92 ALDH1A1 (0.38) CYP1A2CYP3A4CYP2D6CLK4ALDH1A1
SCHEMBL20114524 0.92 PTGER4 (0.38) CYP1A2CYP3A4CYP2D6CLK4ALDH1A1
SCHEMBL20150330 0.92 MAT2A (0.36) CYP1A2ALDH1A1LMNACYP2C19CYP2C9
SCHEMBL21546640 0.91 CYP1A2 (0.41) CYP1A2CYP3A4CYP2D6CLK4ALDH1A1
SCHEMBL20150302 0.91 AR (0.40) ALDH1A1MEN1KMT2ALMNACYP2C19
SCHEMBL21546490 0.90 CYP1A2 (0.42) CYP1A2CYP3A4CYP2D6CLK4ALDH1A1
SCHEMBL21108402 0.90 CYP1A2 (0.38) CYP1A2CYP3A4CYP2D6CLK4ALDH1A1

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
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 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 659/4885CYP3A4 950/4885CYP2D6 907/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 CYP1A2 659/4885CYP3A4 950/4885CYP2D6 907/4885

“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.