SCHEMBL19736471

SCHEMBL19736471

CC(C)NC(=O)c1ccc2c(n1)N(C(=O)Nc1cc(C(=O)NC3CC3)ccn1)[C@H]1CCN2C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.37
▸ CCNE1 P24864 9/20 0.36
▸ CDK2 P24941 9/20 0.36
▸ BRD4 O60885 4/20 0.36
▸ PLK1 P53350 2/20 0.36
▸ BRDT Q58F21 1/20 0.36
▸ FDPS P14324 1/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ GSK3B P49841 3/20 0.35
▸ TAF1 P21675 2/20 0.35
▸ PIK3C3 Q8NEB9 1/20 0.35
▸ CDK4 P11802 1/20 0.34
▸ CCND1 P24385 1/20 0.34
▸ CCND3 P30281 1/20 0.34
▸ CDK7 P50613 1/20 0.34
▸ CCNH P51946 1/20 0.34
▸ MNAT1 P51948 1/20 0.34
▸ CDK6 Q00534 1/20 0.34

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
SCHEMBL19736506 0.94 FDPS (0.40) ACACBFDPSCNR2MAPTGSK3B
SCHEMBL19736465 0.92 CBLB (0.38) ACACBBRD4PLK1MAPTGSK3B
SCHEMBL19713928 0.92 RPS6KB1 (0.34) ACACBCCNE1CDK2MAPTGSK3B
SCHEMBL19713930 0.92 RPS6KB1 (0.34) ACACBCCNE1CDK2MAPTGSK3B
SCHEMBL19736179 0.90 HRH3 (0.37) ACACBFDPSCNR2MAPTGSK3B
SCHEMBL22239575 0.90 MAP3K12 (0.36) ACACBFDPSCNR2MAPTGSK3B
SCHEMBL19736178 0.90 CNR2 (0.37) ACACBFDPSCNR2MAPTGSK3B
SCHEMBL19736513 0.90 ACACB (0.38) ACACBFDPSCNR2MAPTGSK3B
SCHEMBL17777114 0.90 ACACB (0.39) ACACBFDPSMAPTGSK3B
SCHEMBL19714521 0.89 GSK3B (0.37) CCNE1CDK2MAPTGSK3BPIK3C3

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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — US disclosed
US-9214258-B2 Semiconductor composites comprising carbon nanotubes and diketopyrrolopyrrole-thiophene based copolymers XEROX CORPORATION (US) 2015-12-15 — — 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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ACACB 306/4885CCNE1 1954/4885CDK2 647/4885

“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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