SCHEMBL17778467

SCHEMBL17778467

Cc1ccc(-c2ncc3c(n2)N(C(=O)Nc2cccnc2)[C@H]2CCN3C2)cn1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 10/20 0.46
▸ PIK3CA P42336 6/20 0.40
▸ HTR2A P28223 6/20 0.40
▸ HTR2C P28335 6/20 0.40
▸ PIK3CG P48736 2/20 0.39
▸ PIK3CD O00329 1/20 0.39
▸ FAAH O00519 1/20 0.38

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
SCHEMBL17778460 0.91 MTOR (0.42) MTORHTR2AHTR2C
SCHEMBL17778538 0.87 MTOR (0.41) MTORPIK3CAHTR2AHTR2CPIK3CG
SCHEMBL17767932 0.86 HTR2A (0.45) MTORHTR2AHTR2CFAAH
SCHEMBL17768133 0.86 HTR2A (0.42) MTORHTR2AHTR2C
SCHEMBL17778459 0.86 GSK3B (0.38) FAAH
SCHEMBL17778469 0.86 ALDH1A1 (0.42) MTORHTR2AHTR2C
SCHEMBL17767930 0.85 HTR2A (0.39) HTR2AHTR2C
SCHEMBL17778720 0.85 HTR2C (0.45) HTR2AHTR2C
SCHEMBL17618719 0.84 ALDH1A1 (0.42) MTORPIK3CAHTR2AHTR2CPIK3CG
SCHEMBL17767981 0.83 HTR2C (0.44) HTR2AHTR2C

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 363/4885PIK3CA 4009/4885HTR2A 4669/4885

“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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