SCHEMBL21090393

SCHEMBL21090393

Cc1ccc2c(c1)c1ccccc1n2-c1ccc(C(F)(F)F)cc1-c1nc(-c2ccccc2)nc(-c2cc(C(F)(F)F)ccc2-n2c3ccccc3c3cc(C)ccc32)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.39
▸ ABCG2 Q9UNQ0 5/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ TDO2 P48775 1/20 0.36
▸ IDO2 Q6ZQW0 1/20 0.36
▸ PDE2A O00408 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PIK3CB P42338 1/20 0.36
▸ PIK3CG P48736 1/20 0.36
▸ DHODH Q02127 1/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ TP53 P04637 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
SCHEMBL21090395 0.97 CYP1A2 (0.39) KIF11ABCG2CYP1A2CYP3A4CYP2C9
SCHEMBL26513668 0.96 KIF11 (0.40) KIF11ABCG2CYP1A2CYP3A4CYP2C9
SCHEMBL21090401 0.94 KIF11 (0.41) KIF11ABCG2CYP1A2CYP3A4CYP2C9
SCHEMBL27440373 0.93 ABCG2 (0.38) KIF11ABCG2CYP1A2CYP3A4CYP2C9
SCHEMBL21090055 0.93 DHODH (0.38) KIF11ABCG2CYP1A2CYP3A4CYP2C9
SCHEMBL21089863 0.93 KIF11 (0.43) KIF11ABCG2CYP1A2CYP3A4CYP2C9
SCHEMBL20997099 0.92 ABCG2 (0.42) KIF11ABCG2CYP1A2CYP2C9CYP2C19
SCHEMBL21089870 0.92 ABCG2 (0.39) KIF11ABCG2LMNAPOLBDHODH
SCHEMBL20910722 0.91 PPARG (0.35) KIF11ABCG2CYP1A2CYP3A4CYP2C9
SCHEMBL20110521 0.91 ABCG2 (0.44) KIF11ABCG2CYP1A2CYP2C9CYP2C19

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190177303-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-06-13 — — 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 (1 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-20190177303-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, ORC3, OR51E2 KIF11 3328/4885ABCG2 1311/4885CYP1A2 1161/4885

“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.

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