SCHEMBL16775998

SCHEMBL16775998

Cn1cc(NC(=O)N2CCCNc3ccc(-c4cccc(N5CCCC5)c4)nc32)cn1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 3/20 0.42
▸ RPS6KA2 Q15349 2/20 0.42
▸ PRKCI P41743 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ JAK2 O60674 1/20 0.37
▸ TRPV3 Q8NET8 1/20 0.37
▸ HCRTR2 O43614 1/20 0.37
▸ CNR1 P21554 5/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ BCR P11274 1/20 0.36
▸ WNT1 P04628 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ CAMK2D Q13557 1/20 0.36
▸ CNR2 P34972 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ CREBBP Q92793 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
SCHEMBL16775911 0.88 RPS6KA3 (0.43) RPS6KA3RPS6KA2CNR1CNR2
SCHEMBL16776006 0.86 CNR1 (0.38) RPS6KA3RPS6KA2PRKCIKITJAK2
SCHEMBL16775852 0.86 NTRK1 (0.41) RPS6KA3RPS6KA2KIT
SCHEMBL16775844 0.85 NTRK1 (0.40) RPS6KA3RPS6KA2KIT
SCHEMBL16776007 0.85 RPS6KA2 (0.42) RPS6KA3RPS6KA2PRKCIKITJAK2
SCHEMBL16776000 0.84 PRKCI (0.39) RPS6KA3RPS6KA2PRKCIKITJAK2
SCHEMBL16776211 0.84 RPS6KA3 (0.43) RPS6KA3RPS6KA2KITABL1
SCHEMBL16776005 0.82 KARS1 (0.50) PRKCIKITJAK2ABL1BCR
SCHEMBL16776060 0.82 FGFR4 (0.43) RPS6KA3RPS6KA2PRKCIJAK2TRPV3
SCHEMBL16775995 0.82 BRAF (0.41) RPS6KA3RPS6KA2CNR1ABL1BCR

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 2318/4885PRKCI 2015/4885

“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.

Send feedback