SCHEMBL22985356

SCHEMBL22985356

Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(-c3ccc(C#N)cc3C(F)(F)F)cc2-c2ccc(C#N)cc2-n2c3ccc(-c4nc(C)nc(C)n4)cc3c3cc(-c4nc(C)nc(C)n4)ccc32)n1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.33
AR P10275 5/20 0.32
PTGER4 P35408 1/20 0.31
CRHR1 P34998 1/20 0.31
TRPA1 O75762 1/20 0.31
KIF11 P52732 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
CYP11B2 P19099 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 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
SCHEMBL22985243 0.96 NSD2 (0.33) NSD2ARPTGER4CRHR1TRPA1
SCHEMBL22985301 0.96 NSD2 (0.34) NSD2ARPTGER4CRHR1TRPA1
SCHEMBL22985576 0.96 PTGER4 (0.38) NSD2ARPTGER4TRPA1PSEN1
SCHEMBL20848976 0.95 CYP2C9 (0.33) NSD2KIF11CTSSCTSK
SCHEMBL22985245 0.92 PTGER4 (0.38) NSD2ARPTGER4TRPA1PSEN1
SCHEMBL22985300 0.92 PTGER4 (0.39) NSD2ARPTGER4TRPA1PSEN1
SCHEMBL22985707 0.92 PTGER4 (0.39) NSD2ARPTGER4CRHR1TRPA1
SCHEMBL20848711 0.91 CYP2C9 (0.33) NSD2KIF11
SCHEMBL20849141 0.91 PSEN1 (0.33) NSD2ARPTGER4TRPA1CTSS
SCHEMBL20848784 0.91 ALOX5AP (0.34) NSD2PTGER4KIF11PSEN1PSEN2

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 NSD2 756/4885AR 3541/4885PTGER4 3301/4885

“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.