SCHEMBL17778469

SCHEMBL17778469

Cc1cc(-c2ncc3c(n2)N(C(=O)Nc2cccnc2)[C@H]2CCCN3C2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ MTOR P42345 2/20 0.41
▸ HTR2A P28223 11/20 0.38
▸ HTR2C P28335 11/20 0.38
▸ BTK Q06187 1/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ DNM1L O00429 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL17778460 0.95 MTOR (0.42) ALDH1A1MAPTMTORHTR2AHTR2C
SCHEMBL16776482 0.89 ALDH1A1 (0.42) ALDH1A1MAPTHTR2AHTR2CBTK
SCHEMBL17778603 0.88 ALDH1A1 (0.40) ALDH1A1MAPTHTR2AHTR2CBTK
SCHEMBL20721046 0.87 HTR2C (0.42) ALDH1A1MAPTHTR2AHTR2CLMNA
SCHEMBL17778467 0.86 MTOR (0.46) MTORHTR2AHTR2C
SCHEMBL17778625 0.85 ALDH1A1 (0.38) ALDH1A1MAPTHTR2AHTR2CBTK
SCHEMBL17778627 0.84 GRM5 (0.43) ALDH1A1MAPTHTR2AHTR2CBTK
SCHEMBL17769501 0.84 GRM5 (0.43) ALDH1A1MAPTHTR2AHTR2CBTK
SCHEMBL19689778 0.84 HTR2C (0.41) ALDH1A1MAPTHTR2AHTR2C
SCHEMBL17618706 0.84 HTR2C (0.41) ALDH1A1MAPTHTR2AHTR2C

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 ALDH1A1 1067/4885MAPT 290/4885MTOR 363/4885

“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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