SCHEMBL16776187

SCHEMBL16776187

C[C@@H]1CCCNc2ccc(-c3cccnc3)nc2N1C(=O)Nc1cccnc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 6/20 0.41
▸ RPS6KA2 Q15349 1/20 0.41
▸ CACNA1G O43497 2/20 0.39
▸ CACNA1H O95180 2/20 0.39
▸ CACNA1I Q9P0X4 2/20 0.39
▸ PIK3CA P42336 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ ABL1 P00519 2/20 0.38
▸ BCR P11274 2/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ SRC P12931 1/20 0.38
▸ PDGFRA P16234 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ CREBBP Q92793 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ MAPKAPK2 P49137 1/20 0.37
▸ FAAH O00519 1/20 0.36

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
SCHEMBL16776243 0.92 RPS6KA3 (0.39) RPS6KA3RPS6KA2CACNA1GCACNA1HCACNA1I
SCHEMBL16776120 0.89 RPS6KA3 (0.37) RPS6KA3RPS6KA2CACNA1GCACNA1HCACNA1I
SCHEMBL16785576 0.89 HTR2A (0.41) RPS6KA3RPS6KA2FAAH
SCHEMBL16776270 0.89 ABL1 (0.42) RPS6KA3RPS6KA2ABL1BCRPDGFRB
SCHEMBL16776249 0.88 ABL1 (0.39) RPS6KA3RPS6KA2CACNA1GCACNA1HCACNA1I
SCHEMBL16776190 0.87 FAAH (0.37) KCNH2HRH3FAAH
SCHEMBL16776188 0.87 ATR (0.42) RPS6KA2KCNH2HRH3FAAH
SCHEMBL16775993 0.85 ABL1 (0.43) RPS6KA3RPS6KA2ABL1BCRMAPKAPK2
SCHEMBL16775982 0.84 CACNA1G (0.43) RPS6KA3RPS6KA2CACNA1GCACNA1HCACNA1I
SCHEMBL16776295 0.84 CLK2 (0.41) 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 RPS6KA3 2368/4885RPS6KA2 2318/4885CACNA1G 4560/4885

“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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