SCHEMBL16776249

SCHEMBL16776249

Cc1ccncc1-c1ccc2c(n1)N(C(=O)Nc1cccnc1)[C@H](C)CCCN2

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 3/20 0.39
▸ RPS6KA3 P51812 2/20 0.38
▸ RPS6KA2 Q15349 1/20 0.38
▸ CYP11B2 P19099 1/20 0.38
▸ CACNA1G O43497 4/20 0.37
▸ CACNA1H O95180 4/20 0.37
▸ CACNA1I Q9P0X4 4/20 0.37
▸ MAPT P10636 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ CASP3 P42574 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SENP7 Q9BQF6 2/20 0.36
▸ HTR2A P28223 5/20 0.35
▸ HTR2C P28335 5/20 0.35
▸ POLB P06746 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK1 P28482 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
SCHEMBL16776238 0.88 ABL1 (0.37) ABL1HTR2AHTR2C
SCHEMBL16776187 0.88 RPS6KA3 (0.41) ABL1RPS6KA3RPS6KA2CACNA1GCACNA1H
SCHEMBL16776247 0.87 ABL1 (0.37) ABL1
SCHEMBL16776232 0.86 ABL1 (0.39) ABL1
SCHEMBL16776242 0.86 ABL1 (0.40) ABL1
SCHEMBL16776244 0.85 ABL1 (0.40) ABL1
SCHEMBL16776243 0.85 RPS6KA3 (0.39) ABL1RPS6KA3RPS6KA2CACNA1GCACNA1H
SCHEMBL16776218 0.83 RPS6KA3 (0.42) RPS6KA3RPS6KA2CYP11B2CACNA1GCACNA1H
SCHEMBL16776217 0.81 NAMPT (0.45) RPS6KA3RPS6KA2CYP11B2CACNA1GCACNA1H
SCHEMBL16776239 0.81 ABL1 (0.40) ABL1RPS6KA2

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 ABL1 4089/4885RPS6KA3 2368/4885RPS6KA2 2318/4885

“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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