SCHEMBL21758486

SCHEMBL21758486

N#Cc1ccc(-c2cnccc2-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c(-n2c3ccccc3c3cc(C(F)(F)F)ccc32)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.37
CYP3A5 P20815 2/20 0.37
GPBAR1 Q8TDU6 2/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
KIF11 P52732 1/20 0.34
SLC22A12 Q96S37 4/20 0.33
CYP19A1 P11511 1/20 0.33
HTR2B P41595 1/20 0.33
HTR6 P50406 1/20 0.33
CHUK O15111 1/20 0.33
SMO Q99835 1/20 0.33
CYP1A2 P05177 1/20 0.32
METAP2 P50579 1/20 0.32
GSK3A P49840 2/20 0.32
GSK3B P49841 2/20 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
SCHEMBL23255429 0.96 CYP3A4 (0.37) CYP3A4CYP3A5GPBAR1PSEN1PSEN2
SCHEMBL21758475 0.95 CYP3A4 (0.38) CYP3A4CYP3A5GPBAR1PSEN1PSEN2
SCHEMBL21758494 0.94 CYP3A4 (0.38) CYP3A4CYP3A5GPBAR1KIF11SLC22A12
SCHEMBL23255433 0.92 CYP3A4 (0.38) CYP3A4CYP3A5GPBAR1PSEN1PSEN2
SCHEMBL21758705 0.91 CYP3A4 (0.35) CYP3A4CYP3A5GPBAR1PSEN1PSEN2
SCHEMBL21758702 0.91 SLC22A12 (0.35) SLC22A12CYP19A1
SCHEMBL23255424 0.91 CYP3A4 (0.38) CYP3A4CYP3A5GPBAR1PSEN1PSEN2
SCHEMBL23255591 0.91 KIF11 (0.38) CYP3A4CYP3A5GPBAR1KIF11SLC22A12
SCHEMBL21758701 0.90 GPBAR1 (0.34) CYP3A4CYP3A5GPBAR1PSEN1PSEN2
SCHEMBL23255426 0.90 KIF11 (0.40) CYP3A4KIF11CYP19A1HTR2BHTR6

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-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-02-27 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-20200062734-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OXER1, OR10J3, OXGR1 CYP3A4 1908/4885CYP3A5 2515/4885GPBAR1 1502/4885

“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.