SCHEMBL16776295

SCHEMBL16776295

C[C@@H]1CCNc2ccc(-c3cnn(C4CCCC4)c3)nc2N1C(=O)Nc1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLK2 P49760 2/20 0.41
▸ LRRK2 Q5S007 2/20 0.41
▸ RPS6KA3 P51812 1/20 0.40
▸ RPS6KA2 Q15349 1/20 0.40
▸ MCL1 Q07820 2/20 0.39
▸ PIM1 P11309 1/20 0.37
▸ CACNA1G O43497 2/20 0.36
▸ CACNA1H O95180 2/20 0.36
▸ CACNA1I Q9P0X4 2/20 0.36
▸ ACVR1 Q04771 1/20 0.36
▸ JAK2 O60674 3/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ TYK2 P29597 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ IRAK4 Q9NWZ3 2/20 0.35
▸ EGFR P00533 1/20 0.35
▸ IRAK1 P51617 1/20 0.35
▸ MAP4K3 Q8IVH8 1/20 0.34
▸ KHK P50053 1/20 0.33

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
SCHEMBL16776271 0.85 RPS6KA3 (0.40) LRRK2RPS6KA3RPS6KA2MCL1CACNA1G
SCHEMBL16776187 0.84 RPS6KA3 (0.41) RPS6KA3RPS6KA2CACNA1GCACNA1HCACNA1I
SCHEMBL16775993 0.80 ABL1 (0.43) RPS6KA3RPS6KA2JAK2
SCHEMBL16775982 0.80 CACNA1G (0.43) RPS6KA3RPS6KA2CACNA1GCACNA1HCACNA1I
SCHEMBL16776218 0.79 RPS6KA3 (0.42) RPS6KA3RPS6KA2CACNA1GCACNA1HCACNA1I
SCHEMBL16776217 0.79 NAMPT (0.45) RPS6KA3RPS6KA2MCL1CACNA1GCACNA1H
SCHEMBL16776243 0.79 RPS6KA3 (0.39) CLK2RPS6KA3RPS6KA2CACNA1GCACNA1H
SCHEMBL16776253 0.78 RPS6KA3 (0.42) RPS6KA3RPS6KA2CACNA1GCACNA1HCACNA1I
SCHEMBL17618771 0.78 MCL1 (0.41) CLK2LRRK2MCL1CACNA1GCACNA1H
SCHEMBL16776249 0.77 ABL1 (0.39) RPS6KA3RPS6KA2CACNA1GCACNA1HCACNA1I

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 CLK2 712/4885LRRK2 533/4885RPS6KA3 2368/4885

“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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