SCHEMBL9100788

SCHEMBL9100788

Cn1cc(-c2ccc(F)c(N3CCC4(CC3)CCN([C@H]3CC[C@@H](O)CC3)C4=O)c2)cn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.42
CDK19 Q9BWU1 2/20 0.42
CHRM1 P11229 10/20 0.40
PIK3CD O00329 2/20 0.40
IRAK1 P51617 1/20 0.39
TYRO3 Q06418 1/20 0.39
MERTK Q12866 1/20 0.39
WNT1 P04628 2/20 0.39
GSK3B P49841 2/20 0.39
DYRK1A Q13627 2/20 0.39
USP30 Q70CQ3 1/20 0.39
FASN P49327 1/20 0.38
CCNC P24863 1/20 0.38

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
SCHEMBL9100798 1.00 CDK8 (0.42) CDK8CDK19CHRM1PIK3CDIRAK1
SCHEMBL4719581 0.84 HSD11B1 (0.45) FASN
SCHEMBL5629543 0.84 HSD11B1 (0.45) FASN
SCHEMBL5630487 0.80 TTR (0.37)
SCHEMBL4721723 0.80 TTR (0.37)
SCHEMBL4720506 0.80 HSD11B1 (0.41) USP30
SCHEMBL5629422 0.80 HSD11B1 (0.41) USP30
SCHEMBL4762976 0.79 MAP3K14 (0.38)
SCHEMBL4721598 0.79 MAP3K14 (0.38)
SCHEMBL4723812 0.79 OTUD7B (0.42) USP30

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193207-B2 Lactam compounds and methods of using the same INCYTE CORPORATION (US) 2012-06-05 US claimed
US-8193207-B2 Lactam compounds and methods of using the same INCYTE CORPORATION (US) 2012-06-05 US disclosed
US-8193207-B2 Lactam compounds and methods of using the same INCYTE CORPORATION (US) 2012-06-05 US disclosed
US-8193207-B2 Lactam compounds and methods of using the same INCYTE CORPORATION (US) 2012-06-05 US disclosed
US-20070129345-A1 Lactam compounds and methods of using the same INCYTE CORPORATION 2007-06-07 US disclosed
US-20070129345-A1 Lactam compounds and methods of using the same INCYTE CORPORATION 2007-06-07 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-20070129345-A1 Lactam compounds and methods of using the same HSD11B1, HSD17B11, HSD17B1 CDK8 3532/4885CDK19 2349/4885CHRM1 4538/4885

“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.