SCHEMBL16776271

SCHEMBL16776271

C[C@@H]1CCNc2ccc(-c3cnn(-c4ccccc4)c3)nc2N1C(=O)Nc1cccnc1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 1/20 0.40
▸ RPS6KA2 Q15349 1/20 0.40
▸ MCL1 Q07820 2/20 0.38
▸ HTR1A P08908 2/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ RIPK2 O43353 2/20 0.36
▸ NAMPT P43490 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ CACNA1H O95180 6/20 0.36
▸ CACNA1I Q9P0X4 6/20 0.36
▸ CACNA1G O43497 5/20 0.36
▸ GRIN2B Q13224 2/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.35
▸ LRRK2 Q5S007 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
SCHEMBL16776295 0.85 CLK2 (0.41) RPS6KA3RPS6KA2MCL1CACNA1HCACNA1I
SCHEMBL16776187 0.82 RPS6KA3 (0.41) RPS6KA3RPS6KA2CACNA1HCACNA1ICACNA1G
SCHEMBL16775993 0.82 ABL1 (0.43) RPS6KA3RPS6KA2HTR1ADRD2MAPT
SCHEMBL16775982 0.80 CACNA1G (0.43) RPS6KA3RPS6KA2CACNA1HCACNA1ICACNA1G
SCHEMBL16776218 0.79 RPS6KA3 (0.42) RPS6KA3RPS6KA2NAMPTMAPTCACNA1H
SCHEMBL16776217 0.79 NAMPT (0.45) RPS6KA3RPS6KA2MCL1NAMPTMAPT
SCHEMBL16776253 0.78 RPS6KA3 (0.42) RPS6KA3RPS6KA2NAMPTMAPTCACNA1H
SCHEMBL17618754 0.77 HTR2C (0.39) MCL1HTR1ADRD2RIPK2NAMPT
SCHEMBL16776270 0.77 ABL1 (0.42) RPS6KA3RPS6KA2HTR1ADRD2MAPT
SCHEMBL16776243 0.77 RPS6KA3 (0.39) RPS6KA3RPS6KA2MAPTCACNA1HCACNA1I

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 2318/4885MCL1 316/4885

“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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