SCHEMBL17618589

SCHEMBL17618589

CN(C)c1ccc(-c2ccc3c(n2)N(C(=O)Nc2ccccn2)[C@H]2CCN3C2)cn1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 12/20 0.41
▸ MTOR P42345 12/20 0.41
▸ SCD O00767 2/20 0.39
▸ GRM5 P41594 2/20 0.37
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ PTPN11 Q06124 1/20 0.35
▸ TRPV1 Q8NER1 1/20 0.34
▸ FAAH O00519 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
SCHEMBL16754659 0.91 GSK3B (0.35) PIK3CAMTORGRM5GSK3BDYRK1A
SCHEMBL19361186 0.90 MTOR (0.41) PIK3CAMTORSCDDYRK1AFAAH
SCHEMBL19699064 0.90 ABL1 (0.36) PIK3CAMTORGRM5GSK3BDYRK1A
SCHEMBL17618510 0.90 PIK3CA (0.41) PIK3CAMTORGRM5GSK3BDYRK1A
SCHEMBL20550423 0.89 BMP1 (0.38) PIK3CAMTORSCDGRM5GSK3B
SCHEMBL16754479 0.89 ABL1 (0.35) PIK3CASCDGRM5GSK3BDYRK1A
SCHEMBL19689743 0.88 SCD (0.40) PIK3CAMTORSCDGRM5GSK3B
SCHEMBL17768254 0.87 GRM5 (0.37) PIK3CAMTORGRM5GSK3BDYRK1A
SCHEMBL19361197 0.87 FAAH (0.43) GRM5TRPV1FAAH
SCHEMBL17618581 0.87 EGFR (0.43) PIK3CAMTORSCDGSK3BDYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PIK3CA 4235/4885MTOR 442/4885SCD 928/4885

“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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