SCHEMBL17778603

SCHEMBL17778603

Cc1cc(-c2nc3c(cc2C)N2CCC[C@@H](C2)N3C(=O)Nc2cccnc2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTR2A P28223 8/20 0.40
▸ HTR2C P28335 8/20 0.40
▸ BTK Q06187 1/20 0.38
▸ GRM5 P41594 1/20 0.37
▸ WNT3A P56704 3/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL17768124 0.95 HTR2A (0.41) HTR2AHTR2CWNT3A
SCHEMBL20721046 0.92 HTR2C (0.42) ALDH1A1MAPTHTR2AHTR2CMAPK1
SCHEMBL17778625 0.90 ALDH1A1 (0.38) ALDH1A1MAPTHTR2AHTR2CBTK
SCHEMBL17778469 0.88 ALDH1A1 (0.42) ALDH1A1MAPTHTR2AHTR2CBTK
SCHEMBL17778706 0.88 HTR2A (0.40) MAPTHTR2AHTR2CMAPK1KMT2A
SCHEMBL16776482 0.88 ALDH1A1 (0.42) ALDH1A1MAPTHTR2AHTR2CBTK
SCHEMBL19689818 0.88 HTR2A (0.40) MAPTHTR2AHTR2CMAPK1KMT2A
SCHEMBL17778764 0.87 HTR2A (0.43) HTR2AHTR2C
SCHEMBL19689779 0.87 HTR2C (0.43) HTR2AHTR2C
SCHEMBL17767966 0.87 HTR2A (0.43) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — US disclosed
US-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2019-02-14 — — US disclosed
WO-2016079711-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-20190048016-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ALDH1A1 1067/4885MAPT 290/4885HTR2A 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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