SCHEMBL19706206

SCHEMBL19706206

COc1nccc(NC(=O)N2c3nc(-c4cccc(C)c4)ccc3N3CC[C@H]2C3)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 1/20 0.37
▸ NEK2 P51955 1/20 0.36
▸ CCNE1 P24864 2/20 0.36
▸ CDK2 P24941 2/20 0.36
▸ KMO O15229 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ KARS1 Q15046 2/20 0.34
▸ PIK3CA P42336 2/20 0.34
▸ MTOR P42345 2/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ MAP4K1 Q92918 1/20 0.34
▸ ROCK2 O75116 2/20 0.33
▸ ROCK1 Q13464 2/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ SMPD3 Q9NY59 1/20 0.33
▸ ACACB O00763 1/20 0.33

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
SCHEMBL17618392 0.91 NTRK1 (0.39) NEK2CCNE1CDK2KMOEGFR
SCHEMBL17618381 0.91 CCNE1 (0.37) NEK2CCNE1CDK2KMOEGFR
SCHEMBL17618487 0.90 CARM1 (0.38) NEK2EGFRNTRK1MAP4K1ROCK2
SCHEMBL17618382 0.89 CA2 (0.39) CA9NEK2CDK2KMOEGFR
SCHEMBL17618481 0.89 GPR6 (0.40) ALDH1A1USP2
SCHEMBL17618476 0.88 ABL1 (0.39) NEK2CDK2KDM4EHSD17B10PIK3CA
SCHEMBL19670254 0.88 NEK2 (0.34) NEK2EGFRPIK3CAMTORNTRK1
SCHEMBL19699059 0.86 FAAH (0.43) CA9NEK2PIK3CAMTORUSP2
SCHEMBL16775782 0.86 GRM5 (0.39) CA9KMOEGFRKARS1PIK3CA
SCHEMBL20733229 0.86 KDM4E (0.35) KDM4EALDH1A1ROCK2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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 (2 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CA9 4248/4885NEK2 2615/4885CCNE1 2553/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CA9 4248/4885NEK2 2615/4885CCNE1 2553/4885

“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.

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