SCHEMBL19365358

SCHEMBL19365358

C/N=C/c1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccncn2)[C@H]2CCN3C2)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 6/20 0.35
▸ CHRNB2 P17787 1/20 0.33
▸ CHRNB4 P30926 1/20 0.33
▸ CHRNA3 P32297 1/20 0.33
▸ CHRNA4 P43681 1/20 0.33
▸ ROCK2 O75116 4/20 0.32
▸ ROCK1 Q13464 4/20 0.32
▸ PIM3 Q86V86 1/20 0.31
▸ PIM2 Q9P1W9 1/20 0.31
▸ GRM5 P41594 1/20 0.31
▸ IGF1R P08069 1/20 0.30
▸ IRAK4 Q9NWZ3 1/20 0.30
▸ CDK5 Q00535 1/20 0.30
▸ CDK5R1 Q15078 1/20 0.30
▸ EGFR P00533 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
SCHEMBL19703416 0.92 CNR2 (0.35) FAAH
SCHEMBL19365385 0.92 CNR2 (0.35) FAAH
SCHEMBL19670259 0.89 FAAH (0.35) FAAHPIM3PIM2GRM5
SCHEMBL19706066 0.89 FAAH (0.35) FAAHPIM3PIM2GRM5
SCHEMBL19670254 0.87 NEK2 (0.34) ROCK2ROCK1EGFR
SCHEMBL19365493 0.87 FAAH (0.40) FAAHCDK5CDK5R1EGFR
SCHEMBL19365346 0.87 SCD (0.37) —
SCHEMBL19706030 0.87 SCD (0.37) —
SCHEMBL19699042 0.86 FAAH (0.38) FAAHCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17618430 0.86 MPL (0.41) FAAHCHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — 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 (2 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 977/4885CHRNB2 4210/4885CHRNB4 4376/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 FAAH 977/4885CHRNB2 4210/4885CHRNB4 4376/4885

“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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