SCHEMBL16775911

SCHEMBL16775911

Cn1cc(NC(=O)N2CCCNc3ccc(-c4cccc(Cl)c4)nc32)cn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 3/20 0.43
▸ RPS6KA2 Q15349 1/20 0.41
▸ TP53 P04637 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 2/20 0.38
▸ CLK2 P49760 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.37
▸ FSCN1 Q16658 1/20 0.37
▸ FYN P06241 1/20 0.36
▸ MAPK1 P28482 4/20 0.36
▸ MAPK3 P27361 2/20 0.36
▸ AURKA O14965 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ FGFR1 P11362 1/20 0.36
▸ KDR P35968 1/20 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
SCHEMBL16775998 0.88 RPS6KA3 (0.42) RPS6KA3RPS6KA2CNR1CNR2
SCHEMBL16775852 0.87 NTRK1 (0.41) RPS6KA3RPS6KA2SMN1; SMN2FYNKDR
SCHEMBL16775918 0.86 SIRT2 (0.39) RPS6KA3RPS6KA2TP53GAASMN1; SMN2
SCHEMBL16775910 0.86 TSHR (0.48) RPS6KA3TP53
SCHEMBL16776211 0.85 RPS6KA3 (0.43) RPS6KA3RPS6KA2MAPK1
SCHEMBL16775844 0.85 NTRK1 (0.40) RPS6KA3RPS6KA2SMN1; SMN2FYNKDR
SCHEMBL16775912 0.84 RPS6KA3 (0.41) RPS6KA3RPS6KA2TP53GAASMN1; SMN2
SCHEMBL16775916 0.84 FAAH (0.38) RPS6KA3RPS6KA2TP53GAASMN1; SMN2
SCHEMBL12654088 0.83 FSCN1 (0.39) TP53GAASMN1; SMN2CNR1CNR2
SCHEMBL16775825 0.81 CNR2 (0.53) RPS6KA3RPS6KA2TP53GAASMN1; SMN2

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RPS6KA3 2368/4885RPS6KA2 2318/4885TP53 349/4885

“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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