SCHEMBL19706928

SCHEMBL19706928

Cc1cc(-c2ccc3c(n2)N(C(O)Nc2nccnc2F)[C@H]2CCN3C2)ccn1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.33
▸ SCD O00767 1/20 0.33
▸ MAPK1 P28482 2/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ WNT3A P56704 3/20 0.31
▸ MAP4K4 O95819 1/20 0.31
▸ USP30 Q70CQ3 4/20 0.30
▸ IRAK4 Q9NWZ3 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
SCHEMBL19670504 0.86 MAPK1 (0.32) HRH3MAPK1USP30
SCHEMBL19670481 0.85 KARS1 (0.41) HRH3MAPK1
SCHEMBL19670625 0.85 HRH3 (0.33) HRH3SCDMAPK1MAP4K4USP30
SCHEMBL19670538 0.85 ROCK1 (0.34) HRH3MAPK1WNT3AMAP4K4USP30
SCHEMBL19670633 0.84 WNT3A (0.34) HRH3SCDMAPK1WNT3AMAP4K4
SCHEMBL19706215 0.84 MAP4K4 (0.34) MAP4K4USP30
SCHEMBL19706212 0.82 HRH3 (0.34) HRH3MAPK1MAP4K4
SCHEMBL19706138 0.82 WNT3A (0.33) HRH3MAPK1WNT3A
SCHEMBL16754455 0.81 USP30 (0.36) SCDMAPK1WNT3AUSP30IRAK4
SCHEMBL17778208 0.81 USP30 (0.36) SCDMAPK1WNT3AUSP30IRAK4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 HRH3 3142/4885SCD 1161/4885MAPK1 1307/4885

“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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