SCHEMBL21399451

SCHEMBL21399451

Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(C#N)cc2-c2cccc(C(F)(F)F)c2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 1/20 0.33
PTGER4 P35408 1/20 0.33
TRPA1 O75762 2/20 0.32
AR P10275 3/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
USP1 O94782 2/20 0.31
WDR48 Q8TAF3 2/20 0.31
ELANE P08246 2/20 0.31
NSD2 O96028 1/20 0.31
GRM5 P41594 1/20 0.31
ENPP1 P22413 1/20 0.31
CRHR1 P34998 1/20 0.30
ALPL P05186 1/20 0.30
ALPI P09923 1/20 0.30
KIF11 P52732 1/20 0.30

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
SCHEMBL21399522 0.96 PTGER4 (0.38) ACP1PTGER4TRPA1ARPSEN1
SCHEMBL20849474 0.91 PTGER4 (0.33) ACP1PTGER4TRPA1ARPSEN1
SCHEMBL21399527 0.90 ACP1 (0.38) ACP1TRPA1ARUSP1WDR48
SCHEMBL21399523 0.89 PTGER4 (0.33) ACP1PTGER4TRPA1ARPSEN1
SCHEMBL20849035 0.88 PSEN1 (0.33) ACP1PTGER4TRPA1ARPSEN1
SCHEMBL21399615 0.87 ACP1 (0.38) ACP1PTGER4TRPA1ARUSP1
SCHEMBL20849473 0.87 PTGER4 (0.39) ACP1PTGER4TRPA1ARPSEN1
SCHEMBL21399670 0.86 KIF11 (0.42) ACP1ARNSD2KIF11
SCHEMBL21399271 0.86 AR (0.38) ACP1ARELANENSD2KIF11
SCHEMBL21399810 0.85 PDK2 (0.39) ACP1ARENPP1ALPLALPI

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-20190292151-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-26 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-20190292151-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, NR2E3, FOXO3 ACP1 4600/4885PTGER4 1117/4885TRPA1 1665/4885

“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.