SCHEMBL20114564

SCHEMBL20114564

Cc1ccc2c(c1)c1ccccc1n2-c1ccc(C#N)cc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C19 P33261 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
CYP2D6 P10635 2/20 0.39
TSHR P16473 2/20 0.39
CYP2C9 P11712 2/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ABCG2 Q9UNQ0 9/20 0.38
GABRA1 P14867 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
PTGER4 P35408 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38

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
SCHEMBL21089849 1.00 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C19MEN1ALDH1A1
SCHEMBL26942359 0.97 CYP1A2 (0.38) CYP1A2CYP3A4CYP2C19MEN1ALDH1A1
SCHEMBL20150378 0.97 ABCG2 (0.40) CYP1A2CYP3A4CYP2C19MEN1ALDH1A1
SCHEMBL21089852 0.97 ABCG2 (0.40) CYP1A2CYP3A4CYP2C19MEN1ALDH1A1
SCHEMBL26506770 0.96 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19MEN1ALDH1A1
SCHEMBL27015805 0.95 PTGER4 (0.39) CYP1A2CYP3A4CYP2C19MEN1ALDH1A1
SCHEMBL22243136 0.95 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C19MEN1ALDH1A1
SCHEMBL27015779 0.94 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C19MEN1ALDH1A1
SCHEMBL21089851 0.94 CYP1A2 (0.39) CYP1A2CYP3A4CYP2C19MEN1ALDH1A1
SCHEMBL24271663 0.93 PTGER4 (0.40) CYP1A2CYP3A4CYP2C19MEN1ALDH1A1

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 5 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
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 950/4885CYP2C19 1127/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 CYP1A2 659/4885CYP3A4 950/4885CYP2C19 1127/4885

“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.