SCHEMBL20150402

SCHEMBL20150402

N#Cc1ccc(-n2c3ccccc3c3ccc(-c4ccc(C(F)(F)F)cc4C(F)(F)F)cc32)c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.33
USP1 O94782 1/20 0.33
WDR48 Q8TAF3 1/20 0.33
CYP2C9 P11712 2/20 0.33
SCN9A Q15858 1/20 0.33
S1PR1 P21453 2/20 0.32
S1PR3 Q99500 2/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
KIF11 P52732 2/20 0.32
PDPK1 O15530 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2B Q13224 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
ACP1 P24666 1/20 0.32
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL20150400 0.95 ABCG2 (0.33) ABCG2USP1WDR48CYP2C9SCN9A
SCHEMBL20155937 0.94 USP1 (0.33) ABCG2USP1WDR48CYP2C9SCN9A
SCHEMBL20150406 0.92 S1PR1 (0.34) ABCG2USP1WDR48CYP2C9SCN9A
SCHEMBL22243075 0.91 CYP1A2 (0.33) ABCG2USP1WDR48CYP2C9SCN9A
SCHEMBL20849547 0.91 CYP1A2 (0.33) ABCG2USP1WDR48CYP2C9SCN9A
SCHEMBL20996884 0.91 KIF11 (0.39) ABCG2CYP2C9KIF11PDPK1MEN1
SCHEMBL20648362 0.90 EDNRB (0.37) ABCG2CYP2C9SCN9AS1PR1S1PR3
SCHEMBL23679189 0.90 CYP1A2 (0.36) ABCG2CYP2C9SCN9AGRIN1GRIN2B
SCHEMBL20848732 0.90 CYP1A2 (0.32) ABCG2USP1WDR48CYP2C9SCN9A
SCHEMBL22242947 0.90 CYP1A2 (0.32) ABCG2USP1WDR48CYP2C9SCN9A

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 2585/4885USP1 4195/4885WDR48 3108/4885
US-10421746-B2 Organic molecules, especially for use in organic optoelectronic devices OR10J3, EPCAM, F12 ABCG2 2585/4885USP1 4195/4885WDR48 3108/4885

“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.