SCHEMBL22985195

SCHEMBL22985195

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
XDH P47989 2/20 0.35
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
DGAT1 O75907 1/20 0.32
SOAT1 P35610 1/20 0.32
KCNH2 Q12809 1/20 0.32
KIF11 P52732 1/20 0.32
ELANE P08246 2/20 0.31
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CNR1 P21554 2/20 0.31
PDE2A O00408 2/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 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
SCHEMBL22985489 0.96 ALOX5AP (0.38) ALOX5APFEN1XDHPSEN1PSEN2
SCHEMBL22985739 0.96 ALOX5AP (0.39) ALOX5APFEN1XDHPSEN1PSEN2
SCHEMBL22985120 0.96 ALOX5AP (0.39) ALOX5APFEN1XDHPSEN1PSEN2
SCHEMBL22985198 0.96 ALOX5AP (0.36) ALOX5APFEN1XDHPSEN1PSEN2
SCHEMBL21399456 0.93 KIF11 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL22985038 0.93 ALOX5AP (0.36) ALOX5APFEN1XDHPSEN1PSEN2
SCHEMBL22985740 0.92 ALOX5AP (0.37) ALOX5APFEN1XDHPSEN1PSEN2
SCHEMBL22985113 0.92 ALOX5AP (0.37) ALOX5APFEN1XDHPSEN1PSEN2
SCHEMBL20848976 0.91 CYP2C9 (0.33) ALOX5APFEN1DGAT1SOAT1KCNH2
SCHEMBL21399442 0.91 KIF11 (0.35) PSEN1PSEN2APH1BNCSTNAPH1A

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 ALOX5AP 2567/4885FEN1 2939/4885XDH 1167/4885

“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.