SCHEMBL22985408

SCHEMBL22985408

Cc1nc(C)nc(-c2ccc3c(c2)c2cc(-c4nc(C)nc(C)n4)ccc2n3-c2ccc(-c3ccc(C#N)cc3C(F)(F)F)c(-c3cc(C#N)ccc3-n3c4ccc(-c5nc(C)nc(C)n5)cc4c4cc(-c5nc(C)nc(C)n5)ccc43)c2)n1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.33
AR P10275 4/20 0.33
NSD2 O96028 1/20 0.32
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PTGER4 P35408 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
SCHEMBL22985411 0.96 PTGER4 (0.36) CRHR1ARPTGER4
SCHEMBL20848495 0.91 PTGER4 (0.34) PTGER4
SCHEMBL22985243 0.90 NSD2 (0.33) CRHR1ARNSD2PTGER4
SCHEMBL22985042 0.90 AR (0.33) CRHR1ARNSD2
SCHEMBL22985642 0.89 AR (0.33) AR
SCHEMBL22985215 0.88 ALOX5AP (0.33)
SCHEMBL20849258 0.88 PTGER4 (0.35) PTGER4
SCHEMBL22985055 0.87 AR (0.40) ARNSD2PIK3CDPIK3CA
SCHEMBL22985650 0.87 PDPK1 (0.33) ARPTGER4
SCHEMBL22985027 0.87 KIF11 (0.41) ARNSD2PIK3CDPIK3CA

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 CRHR1 4885/4885AR 3541/4885NSD2 756/4885

“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.