SCHEMBL22985707

SCHEMBL22985707

Cc1nc(C)nc(-c2ccc3c(c2)c2ccccc2n3-c2ccc(C#N)cc2-c2cc(-c3ccc(C#N)cc3C(F)(F)F)ccc2-n2c3ccccc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.39
TRPA1 O75762 2/20 0.33
AR P10275 6/20 0.33
NSD2 O96028 1/20 0.32
PDPK1 O15530 1/20 0.31
ACP1 P24666 1/20 0.31
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
ALDH1A1 P00352 3/20 0.31
CYP1A2 P05177 3/20 0.31
CYP3A4 P08684 3/20 0.31
CYP2C19 P33261 3/20 0.31
CLK4 Q9HAZ1 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPK1 P28482 2/20 0.31

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 0.96 PTGER4 (0.38) PTGER4TRPA1ARNSD2PDPK1
SCHEMBL22985576 0.96 PTGER4 (0.38) PTGER4TRPA1ARNSD2PDPK1
SCHEMBL20848787 0.95 PTGER4 (0.37) PTGER4TRPA1ARNSD2CYP2C9
SCHEMBL22985300 0.93 PTGER4 (0.39) PTGER4TRPA1ARNSD2PDPK1
SCHEMBL22985243 0.92 NSD2 (0.33) PTGER4TRPA1ARNSD2PSEN1
SCHEMBL22985356 0.92 NSD2 (0.33) PTGER4TRPA1ARNSD2PSEN1
SCHEMBL20848975 0.92 PTGER4 (0.36) PTGER4TRPA1ARPSEN1PSEN2
SCHEMBL22985430 0.91 PTGER4 (0.34) PTGER4ARPDPK1
SCHEMBL22985715 0.91 PTGER4 (0.34) PTGER4ARCRHR1
SCHEMBL20849473 0.91 PTGER4 (0.39) PTGER4TRPA1ARPDPK1ACP1

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.