SCHEMBL19736429

SCHEMBL19736429

COc1ccnc(NC(=O)N2c3nc(C(=O)NC(C)C)ccc3N3CCC2C3)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 5/20 0.39
▸ RIOK2 Q9BVS4 1/20 0.39
▸ PHGDH O43175 3/20 0.37
▸ ACACB O00763 2/20 0.37
▸ RPS6KA2 Q15349 1/20 0.37
▸ NOS3 P29474 3/20 0.37
▸ NOS1 P29475 3/20 0.37
▸ NOS2 P35228 3/20 0.37
▸ CCR3 P51677 1/20 0.36
▸ NTRK1 P04629 1/20 0.36
▸ MAP4K1 Q92918 1/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGB1 P05556 1/20 0.36
▸ ITGAV P06756 1/20 0.36
▸ ITGA2B P08514 1/20 0.36
▸ ITGA5 P08648 1/20 0.36
▸ ITGB5 P18084 1/20 0.36
▸ MAP3K12 Q12852 2/20 0.36

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
SCHEMBL19714377 0.92 PHGDH (0.38) FGFR1RIOK2PHGDHACACBNOS3
SCHEMBL19714571 0.92 PHGDH (0.38) FGFR1RIOK2PHGDHACACBNOS3
SCHEMBL19736280 0.90 ACACB (0.38) FGFR1ACACB
SCHEMBL19736307 0.90 RPS6KA3 (0.42) ACACBNOS3NOS1NOS2MAP3K12
SCHEMBL19736506 0.90 FDPS (0.40) ACACBNTRK1MAP4K1
SCHEMBL19714205 0.90 NOS1 (0.40) FGFR1RIOK2PHGDHNOS3NOS1
SCHEMBL19736179 0.89 HRH3 (0.37) FGFR1PHGDHACACBNTRK1MAP4K1
SCHEMBL19736162 0.89 CNR2 (0.35) FGFR1ACACBNTRK1MAP4K1
SCHEMBL22239707 0.89 CNR2 (0.35) FGFR1ACACBNTRK1MAP4K1
SCHEMBL19736279 0.88 TYK2 (0.38) ACACB

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-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — 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 FGFR1 1105/4885RIOK2 2619/4885PHGDH 1154/4885

“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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