SCHEMBL17618526

SCHEMBL17618526

O=C(Nc1ccncn1)N1c2nc(-c3cncc(Cl)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 7/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ IRAK4 Q9NWZ3 5/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ IRAK1 P51617 2/20 0.33
▸ GNRHR P30968 1/20 0.32
▸ RPS6KB1 P23443 1/20 0.32
▸ CCNC P24863 1/20 0.32
▸ CDK8 P49336 1/20 0.32
▸ ATR Q13535 1/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32

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
SCHEMBL17618760 0.95 FAAH (0.35) FAAHABL1MAPTGSK3BIRAK4
SCHEMBL17618430 0.90 MPL (0.41) FAAHCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19703382 0.90 MPL (0.41) FAAHCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17618539 0.90 CNR2 (0.39) FAAHABL1MAPTGSK3BIRAK4
SCHEMBL17618517 0.90 MPL (0.41) FAAHCHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL17618551 0.89 MAPT (0.36) FAAHABL1MAPTGSK3B
SCHEMBL17618552 0.88 ABL1 (0.38) FAAHABL1RPS6KB1CCNCCDK8
SCHEMBL17618541 0.88 SCD (0.38) ABL1
SCHEMBL17618529 0.86 FAAH (0.38) FAAHABL1GSK3BIRAK4
SCHEMBL17618633 0.85 GRM5 (0.39) MAPTGSK3BIRAK4

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 9 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-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-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
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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 (3 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 1092/4885ABL1 3987/4885MAPT 303/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 FAAH 977/4885ABL1 4089/4885MAPT 267/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 FAAH 977/4885ABL1 4089/4885MAPT 267/4885

“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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