SCHEMBL22985576

SCHEMBL22985576

Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3ccc(C#N)cc3C(F)(F)F)cc2-c2ccc(C#N)cc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.38
TRPA1 O75762 2/20 0.32
AR P10275 4/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
NSD2 O96028 1/20 0.31
PDPK1 O15530 1/20 0.30
ACP1 P24666 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
SCHEMBL22985245 0.97 PTGER4 (0.38) PTGER4TRPA1ARPSEN1PSEN2
SCHEMBL22985300 0.96 PTGER4 (0.39) PTGER4TRPA1ARPSEN1PSEN2
SCHEMBL22985707 0.96 PTGER4 (0.39) PTGER4TRPA1ARPSEN1PSEN2
SCHEMBL22985356 0.96 NSD2 (0.33) PTGER4TRPA1ARPSEN1PSEN2
SCHEMBL20848975 0.95 PTGER4 (0.36) PTGER4TRPA1ARPSEN1PSEN2
SCHEMBL20849132 0.92 PTGER4 (0.37) PTGER4TRPA1PSEN1PSEN2APH1B
SCHEMBL22985243 0.92 NSD2 (0.33) PTGER4TRPA1ARPSEN1PSEN2
SCHEMBL22985301 0.92 NSD2 (0.34) PTGER4TRPA1ARPSEN1PSEN2
SCHEMBL20848787 0.92 PTGER4 (0.37) PTGER4TRPA1ARNSD2
SCHEMBL20848698 0.92 PTGER4 (0.37) PTGER4TRPA1ARPSEN1PSEN2

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-10919880-B2 Organic molecules, in particular for use in optoelectronic devices CYNORA GMBH (DE) 2021-02-16 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-10919880-B2 Organic molecules, in particular for use in optoelectronic devices OCIAD1, OCIAD2, POU2F1 PTGER4 3301/4885TRPA1 91/4885AR 3541/4885

“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.