SCHEMBL19795556

SCHEMBL19795556

Cc1ccc(-n2c3ccc(C)cc3c3cc(C)ccc32)c(-c2cc(C(F)(F)F)ccc2-n2c3ccc(C)cc3c3cc(C)ccc32)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 4/20 0.47
▸ PIK3CA P42336 1/20 0.43
▸ PIK3CB P42338 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ HSP90AA1 P07900 2/20 0.43
▸ PTGDR2 Q9Y5Y4 4/20 0.39
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA5 P31644 1/20 0.36
▸ HTR6 P50406 2/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ NFKB1 P19838 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ BLM P54132 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
SCHEMBL18374375 0.98 KIF11 (0.49) KIF11PIK3CAPIK3CBPIK3CGHSP90AA1
SCHEMBL19795564 0.93 KIF11 (0.48) KIF11PIK3CAPIK3CBPIK3CGHSP90AA1
SCHEMBL18361015 0.91 KIF11 (0.49) KIF11PIK3CAPIK3CBPIK3CGHSP90AA1
SCHEMBL26496751 0.90 KIF11 (0.50) KIF11PIK3CAPIK3CBPIK3CGHSP90AA1
SCHEMBL19795557 0.88 KIF11 (0.41) KIF11PIK3CAPIK3CBPIK3CGHSP90AA1
SCHEMBL19795550 0.88 CACNA1D (0.44) KIF11PIK3CAPIK3CBPIK3CGPTGDR2
SCHEMBL19795554 0.88 CACNA1D (0.44) KIF11PIK3CAPIK3CBPIK3CGHSP90AA1
SCHEMBL23255676 0.87 PDE10A (0.41) KIF11PIK3CAPIK3CBPIK3CGHSP90AA1
SCHEMBL18374152 0.87 KIF11 (0.41) KIF11PIK3CAPIK3CBPIK3CGPTGDR2
SCHEMBL19795555 0.87 KIF11 (0.41) KIF11PIK3CAPIK3CBPIK3CGHSP90AA1

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-20180026202-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2018-01-25 — — 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-20180026202-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES ORC3, OR10J3, C1R KIF11 4250/4885PIK3CA 4330/4885PIK3CB 4150/4885

“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.

Send feedback