SCHEMBL16776218

SCHEMBL16776218

Cc1[nH]ncc1-c1ccc2c(n1)N(C(=O)Nc1cccnc1)[C@H](C)CCN2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 4/20 0.42
▸ RPS6KA2 Q15349 2/20 0.42
▸ POLB P06746 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CACNA1G O43497 2/20 0.35
▸ CACNA1H O95180 2/20 0.35
▸ CACNA1I Q9P0X4 2/20 0.35
▸ CDK1 P06493 2/20 0.35
▸ CDK4 P11802 2/20 0.35
▸ CCNB1 P14635 2/20 0.35
▸ CCNA2 P20248 2/20 0.35
▸ CCND1 P24385 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ CCNA1 P78396 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ EPHX2 P34913 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
SCHEMBL16776217 0.85 NAMPT (0.45) RPS6KA3RPS6KA2ALDH1A1CACNA1GCACNA1H
SCHEMBL16776253 0.85 RPS6KA3 (0.42) RPS6KA3RPS6KA2ALDH1A1CACNA1GCACNA1H
SCHEMBL16776249 0.83 ABL1 (0.39) RPS6KA3RPS6KA2POLBALDH1A1CACNA1G
SCHEMBL16776187 0.82 RPS6KA3 (0.41) RPS6KA3RPS6KA2POLBCACNA1GCACNA1H
SCHEMBL16776243 0.80 RPS6KA3 (0.39) RPS6KA3RPS6KA2CACNA1GCACNA1HCACNA1I
SCHEMBL16775982 0.80 CACNA1G (0.43) RPS6KA3RPS6KA2CACNA1GCACNA1HCACNA1I
SCHEMBL16776295 0.79 CLK2 (0.41) RPS6KA3RPS6KA2POLBCACNA1GCACNA1H
SCHEMBL16776271 0.79 RPS6KA3 (0.40) RPS6KA3RPS6KA2CACNA1GCACNA1HCACNA1I
SCHEMBL17618700 0.79 HTR2C (0.39) ALDH1A1MAPTHTR2AHTR2C
SCHEMBL16775993 0.78 ABL1 (0.43) RPS6KA3RPS6KA2ALDH1A1MAPT

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 2318/4885POLB 961/4885

“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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