SCHEMBL17768057

SCHEMBL17768057

CNc1ccc(-c2ccc3c(n2)N(C(=O)Nc2cnccn2)[C@H]2CCN3C2)cn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 2/20 0.40
▸ MAPT P10636 1/20 0.37
▸ FAAH O00519 4/20 0.36
▸ DYRK1A Q13627 5/20 0.35
▸ GSK3B P49841 4/20 0.35
▸ MTOR P42345 1/20 0.35
▸ PRKD1 Q15139 1/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ HRH3 Q9Y5N1 1/20 0.34
▸ CYP2C19 P33261 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ PORCN Q9H237 1/20 0.33
▸ BMP1 P13497 1/20 0.33

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
SCHEMBL16754300 0.91 PRKD1 (0.39) FAAHDYRK1AGSK3BPRKD1
SCHEMBL17618518 0.91 PIK3CA (0.39) MAPTFAAHDYRK1AGSK3BMTOR
SCHEMBL19689743 0.90 SCD (0.40) SCDFAAHDYRK1AGSK3BMTOR
SCHEMBL16754501 0.90 FAAH (0.36) FAAHDYRK1AGSK3BPRKD1CYP2C19
SCHEMBL16754550 0.89 FAAH (0.36) MAPTFAAHDYRK1AGSK3BCYP2C19
SCHEMBL17767960 0.89 FAAH (0.36) FAAHDYRK1AGSK3BMTORPRKD1
SCHEMBL16754291 0.88 KDM4E (0.35) FAAHDYRK1AGSK3BPRKD1
SCHEMBL19361186 0.88 MTOR (0.41) SCDFAAHDYRK1AMTORPIK3CA
SCHEMBL17778328 0.88 FAAH (0.36) MAPTFAAHDYRK1AGSK3BMTOR
SCHEMBL16754443 0.88 FAAH (0.36) MAPTFAAHDYRK1AGSK3BMTOR

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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
EP-3221316-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 — — EP disclosed
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO 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 SCD 1161/4885MAPT 306/4885FAAH 1077/4885

“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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