SCHEMBL19736307

SCHEMBL19736307

Cc1ccnc(NC(=O)N2c3nc(C(=O)NC(C)C)ccc3N3CC[C@H]2C3)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 2/20 0.42
▸ NPC1 O15118 6/20 0.38
▸ RAB9A P51151 6/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MAP3K12 Q12852 3/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CNR2 P34972 1/20 0.36
▸ ACACB O00763 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ NOS3 P29474 1/20 0.36
▸ NOS1 P29475 1/20 0.36
▸ NOS2 P35228 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ ALOX15 P16050 1/20 0.35

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 0.91 FDPS (0.40) SMN1; SMN2CNR2ACACB
SCHEMBL19714324 0.91 RPS6KA3 (0.37) RPS6KA3NPC1RAB9AKDM4EALDH1A1
SCHEMBL19714017 0.91 RPS6KA3 (0.37) RPS6KA3NPC1RAB9AKDM4EALDH1A1
SCHEMBL22239707 0.91 CNR2 (0.35) RPS6KA3NPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL19736162 0.91 CNR2 (0.35) CNR2ACACB
SCHEMBL19736429 0.90 FGFR1 (0.39) MAP3K12ACACBNOS3NOS1NOS2
SCHEMBL19736222 0.89 GPR6 (0.39) MAP3K12CNR2
SCHEMBL19736279 0.89 TYK2 (0.38) CNR2ACACB
SCHEMBL22239575 0.89 MAP3K12 (0.36) MAP3K12CNR2ACACB
SCHEMBL19736179 0.89 HRH3 (0.37) NPC1RAB9AKDM4EALDH1A1CNR2

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 RPS6KA3 1949/4885NPC1 3047/4885RAB9A 1227/4885

“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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