SCHEMBL16776229

SCHEMBL16776229

COc1cncc(NC(=O)N2CCCNc3ccc(-c4ccnc(C)c4)nc32)n1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.37
▸ FGFR4 P22455 2/20 0.37
▸ RPS6KA2 Q15349 3/20 0.36
▸ WNT3A P56704 3/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ MAPK1 P28482 4/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GRM5 P41594 1/20 0.34
▸ GPR142 Q7Z601 1/20 0.34

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
SCHEMBL16776227 0.89 FGFR4 (0.37) FGFR4RPS6KA2WNT3AABL1MAPK1
SCHEMBL16776016 0.87 WNT3A (0.40) CYP11B2WNT3AABL1MAPK1GRM5
SCHEMBL16775917 0.86 GRM5 (0.40) FGFR4RPS6KA2MAPK1MAPTGRM5
SCHEMBL16776109 0.85 KARS1 (0.38) FGFR4ABL1MAPK1MAPTGRM5
SCHEMBL19365504 0.85 CYP11B2 (0.37) CYP11B2FGFR4WNT3ACYP3A4ROCK1
SCHEMBL16775996 0.83 DYRK1A (0.43) —
SCHEMBL19670435 0.83 WNT3A (0.36) CYP11B2FGFR4WNT3ACYP3A4ROCK1
SCHEMBL16776013 0.83 FGFR4 (0.44) FGFR4RPS6KA2WNT3AMAPK1GRM5
SCHEMBL16776025 0.82 CYP11B2 (0.38) CYP11B2WNT3AMAPK1GRM5
SCHEMBL16776226 0.81 HTR2C (0.45) CYP3A4ABL1MAPT

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 CYP11B2 1166/4885FGFR4 1754/4885RPS6KA2 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.

Send feedback