SCHEMBL20114528

SCHEMBL20114528

CC(C)(C)c1ccc2c(c1)c1ccccc1n2-c1cc(C#N)ccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.38
CYP3A4 P08684 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP2C19 P33261 2/20 0.38
KMT2A Q03164 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
CYP2D6 P10635 2/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
CYP2C9 P11712 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ABCG2 Q9UNQ0 14/20 0.37
ABCB1 P08183 6/20 0.37
PTGER4 P35408 1/20 0.36
MAPK1 P28482 1/20 0.36
ABCC1 P33527 2/20 0.35
CSNK1D P48730 1/20 0.35
CSNK1G2 P78368 1/20 0.35
RORC P51449 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
SCHEMBL20114525 0.97 ABCG2 (0.39) CYP1A2CYP3A4MEN1ALDH1A1CYP2C19
SCHEMBL27016007 0.95 KIF11 (0.38) CYP1A2CYP3A4MEN1ALDH1A1CYP2C19
SCHEMBL27015985 0.94 CYP1A2 (0.41) CYP1A2CYP3A4MEN1ALDH1A1CYP2C19
SCHEMBL22243056 0.94 CYP1A2 (0.39) CYP1A2CYP3A4MEN1ALDH1A1CYP2C19
SCHEMBL22268452 0.93 ABCG2 (0.40) CYP1A2CYP3A4MEN1ALDH1A1CYP2C19
SCHEMBL27015950 0.93 PTGER4 (0.36) CYP1A2CYP3A4MEN1ALDH1A1CYP2C19
SCHEMBL22243141 0.92 CYP1A2 (0.38) CYP1A2CYP3A4MEN1ALDH1A1CYP2C19
SCHEMBL20793929 0.92 CYP1A2 (0.38) CYP1A2CYP3A4MEN1ALDH1A1CYP2C19
SCHEMBL27016017 0.92 KIF11 (0.40) CYP1A2CYP3A4MEN1ALDH1A1CYP2C19
SCHEMBL27015919 0.92 CYP1A2 (0.39) CYP1A2CYP3A4MEN1ALDH1A1CYP2C19

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 950/4885MEN1 2430/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 CYP1A2 659/4885CYP3A4 950/4885MEN1 2430/4885

“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.