SCHEMBL17778460

SCHEMBL17778460

Cc1cc(-c2ncc3c(n2)N(C(=O)Nc2cccnc2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 2/20 0.42
▸ HTR2A P28223 12/20 0.39
▸ HTR2C P28335 12/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37

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
SCHEMBL17778469 0.95 ALDH1A1 (0.42) MTORHTR2AHTR2CALDH1A1MAPT
SCHEMBL17778467 0.91 MTOR (0.46) MTORHTR2AHTR2C
SCHEMBL17618706 0.88 HTR2C (0.41) HTR2AHTR2CALDH1A1MAPTCYP1A2
SCHEMBL19689778 0.88 HTR2C (0.41) HTR2AHTR2CALDH1A1MAPTCYP1A2
SCHEMBL17768124 0.88 HTR2A (0.41) HTR2AHTR2CCYP1A2
SCHEMBL17778706 0.87 HTR2A (0.40) HTR2AHTR2CMAPTCYP1A2
SCHEMBL19689818 0.87 HTR2A (0.40) HTR2AHTR2CMAPTCYP1A2
SCHEMBL17778764 0.86 HTR2A (0.43) HTR2AHTR2CCYP1A2
SCHEMBL19689779 0.86 HTR2C (0.43) HTR2AHTR2C
SCHEMBL17767966 0.86 HTR2A (0.43) HTR2AHTR2CCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180319810-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2018-11-08 — — US disclosed
WO-2016079712-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-20180319810-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MTOR 363/4885HTR2A 4669/4885HTR2C 4746/4885

“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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