SCHEMBL19706795

SCHEMBL19706795

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cc(N4CCOCC4)ccn2)C2CCN3C2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PSEN1 P49768 5/20 0.41
▸ PSEN2 P49810 5/20 0.41
▸ APH1B Q8WW43 5/20 0.41
▸ NCSTN Q92542 5/20 0.41
▸ APH1A Q96BI3 5/20 0.41
▸ PSENEN Q9NZ42 5/20 0.41
▸ ADORA2A P29274 2/20 0.39
▸ ADORA1 P30542 2/20 0.39
▸ MTOR P42345 2/20 0.39
▸ IRAK4 Q9NWZ3 6/20 0.39
▸ JAK2 O60674 1/20 0.38
▸ SYK P43405 1/20 0.38
▸ SMPD3 Q9NY59 1/20 0.37
▸ PRKCI P41743 1/20 0.36
▸ MAPK1 P28482 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
SCHEMBL19689792 1.00 PSEN1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL17778888 0.93 PIM1 (0.38) MTORJAK2MAPK1
SCHEMBL19689656 0.90 WNT3A (0.43) MTORSYKMAPK1
SCHEMBL19706688 0.90 WNT3A (0.43) MTORSYKMAPK1
SCHEMBL17768176 0.88 IDH1 (0.34) MTORIRAK4JAK2MAPK1
SCHEMBL17778323 0.88 KARS1 (0.40) MTORSYKMAPK1
SCHEMBL16754282 0.88 KARS1 (0.40) MTORSYKMAPK1
SCHEMBL19689817 0.87 WNT3A (0.36) MTORMAPK1
SCHEMBL17768095 0.86 ABL1 (0.37) MTORIRAK4MAPK1
SCHEMBL17768178 0.86 ABL1 (0.37) MTORIRAK4MAPK1

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 1 patent. 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

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 PSEN1 1105/4885PSEN2 1731/4885APH1B 2121/4885

“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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