SCHEMBL20150294

SCHEMBL20150294

Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.38
ALDH1A1 P00352 5/20 0.36
CYP1A2 P05177 4/20 0.36
CYP2C9 P11712 4/20 0.36
CYP2C19 P33261 4/20 0.36
LMNA P02545 4/20 0.36
CYP3A4 P08684 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2D6 P10635 2/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
NPSR1 Q6W5P4 3/20 0.36
HPGD P15428 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KDM4E B2RXH2 6/20 0.36
PPARG P37231 1/20 0.36
NCOA2 Q15596 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
SCHEMBL20114510 0.97 ABCG2 (0.40) ABCG2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL20150308 0.94 NPSR1 (0.37) ABCG2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL20150303 0.93 AR (0.40) ABCG2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL27016213 0.92 ABCG2 (0.36) ABCG2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL27016173 0.92 GRM2 (0.36) ABCG2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL19953866 0.92 ALDH1A1 (0.37) ABCG2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL20150307 0.91 ABCG2 (0.35) ABCG2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL20114647 0.91 ALDH1A1 (0.40) ABCG2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL27016192 0.91 CYP1A2 (0.43) ABCG2ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL20150309 0.90 ABCG2 (0.36) ABCG2ALDH1A1CYP1A2CYP2C9CYP2C19

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
US-20180134686-A1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2018-05-17 US 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 ABCG2 2585/4885ALDH1A1 387/4885CYP1A2 659/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 ABCG2 2585/4885ALDH1A1 387/4885CYP1A2 659/4885

“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.