SCHEMBL21929294

SCHEMBL21929294

N#Cc1ccc(-c2c(-n3c4ccccc4c4cc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)ccc43)cncc2-n2c3ccccc3c3cc(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)ccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CYP1A2 P05177 1/20 0.35
METAP2 P50579 1/20 0.35
TACR1 P25103 5/20 0.35
PTGER4 P35408 2/20 0.35
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 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
SCHEMBL24739662 0.95 KIF11 (0.40) KIF11CYP11B1CYP11B2CYP1A2METAP2
SCHEMBL21929293 0.94 GRIN1 (0.36) KIF11CYP11B1CYP11B2CYP1A2METAP2
SCHEMBL21931682 0.92 GRIN1 (0.39) CYP11B1CYP11B2CYP1A2METAP2TACR1
SCHEMBL21928461 0.91 KIF11 (0.42) KIF11CYP11B2CYP1A2METAP2PTGER4
SCHEMBL24739669 0.88 KIF11 (0.40) KIF11CYP11B1CYP11B2CYP1A2METAP2
SCHEMBL21928635 0.88 PTGER4 (0.39) CYP11B1CYP11B2PTGER4GABRA1GABRG2
SCHEMBL21931681 0.88 GRIN1 (0.41) CYP11B1CYP11B2CYP1A2METAP2GABRG2
SCHEMBL21931709 0.87 GRIN1 (0.40) CYP11B1CYP11B2CYP1A2METAP2TACR1
SCHEMBL21929272 0.87 PTGER4 (0.38) CYP11B2PTGER4GABRA1GABRG2GABRB3
SCHEMBL19909095 0.87 MAPK14 (0.37) KIF11TACR1RXRARXRGICMT

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-20200136054-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-04-30 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-20200136054-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OGFR, OR51E2 KIF11 4417/4885CYP11B1 1431/4885CYP11B2 902/4885

“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.