SCHEMBL16776216

SCHEMBL16776216

CC1=C(C)N=C(NC(=O)N2CCCNc3ccc(-c4ccnc(C)c4)nc32)C1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.34
▸ CYP11B2 P19099 1/20 0.33
▸ WNT3A P56704 7/20 0.32
▸ RPS6KA3 P51812 2/20 0.32
▸ AKT1 P31749 1/20 0.31
▸ FGFR4 P22455 1/20 0.31
▸ MAPK1 P28482 2/20 0.30
▸ CCNC P24863 1/20 0.30
▸ CDK8 P49336 1/20 0.30
▸ PSEN1 P49768 1/20 0.30
▸ PSEN2 P49810 1/20 0.30
▸ APH1B Q8WW43 1/20 0.30
▸ NCSTN Q92542 1/20 0.30
▸ APH1A Q96BI3 1/20 0.30
▸ PSENEN Q9NZ42 1/20 0.30
▸ MAP4K1 Q92918 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ ROCK1 Q13464 1/20 0.30
▸ GRM5 P41594 1/20 0.30

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
SCHEMBL16776038 0.82 CNR1 (0.36) ABL1MAP4K1
SCHEMBL16776013 0.82 FGFR4 (0.44) WNT3ARPS6KA3FGFR4MAPK1GRM5
SCHEMBL16776016 0.81 WNT3A (0.40) ABL1CYP11B2WNT3AMAPK1GRM5
SCHEMBL16776204 0.81 DYRK1A (0.34) ABL1CYP11B2AKT1CYP3A4
SCHEMBL16776226 0.81 HTR2C (0.45) ABL1RPS6KA3CYP3A4
SCHEMBL16776211 0.81 RPS6KA3 (0.43) ABL1CYP11B2WNT3ARPS6KA3MAPK1
SCHEMBL16776025 0.79 CYP11B2 (0.38) CYP11B2WNT3AAKT1MAPK1PSEN1
SCHEMBL16776227 0.79 FGFR4 (0.37) ABL1WNT3AFGFR4MAPK1
SCHEMBL16776229 0.78 CYP11B2 (0.37) ABL1CYP11B2WNT3AFGFR4MAPK1
SCHEMBL16776424 0.77 DYRK1A (0.40) ABL1MAPK1

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 ABL1 4089/4885CYP11B2 1166/4885WNT3A 4291/4885

“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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