SCHEMBL17768176

SCHEMBL17768176

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cc(N4CCOC4=O)ccn2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDH1 O75874 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ PIK3CD O00329 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ MAPK1 P28482 5/20 0.33
▸ USP30 Q70CQ3 3/20 0.33
▸ WNT3A P56704 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ JAK3 P52333 2/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ CAMK1D Q8IU85 1/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ HTR1B P28222 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ HTR2B P41595 1/20 0.32

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
SCHEMBL19699674 0.88 MAPK1 (0.37) MTORMAPK1WNT3AABL1JAK3
SCHEMBL19706795 0.88 PSEN1 (0.41) MTORMAPK1JAK2IRAK4
SCHEMBL19689792 0.88 PSEN1 (0.41) MTORMAPK1JAK2IRAK4
SCHEMBL19689652 0.87 MAPK1 (0.39) MTORMAPK1USP30WNT3AABL1
SCHEMBL17778673 0.87 MAPK1 (0.39) MTORMAPK1USP30WNT3AABL1
SCHEMBL17778888 0.87 PIM1 (0.38) MTORMAPK1WNT3AABL1JAK2
SCHEMBL19706688 0.86 WNT3A (0.43) MTORMAPK1USP30WNT3AABL1
SCHEMBL19689656 0.86 WNT3A (0.43) MTORMAPK1USP30WNT3AABL1
SCHEMBL17778323 0.85 KARS1 (0.40) MTORMAPK1WNT3AABL1
SCHEMBL16754282 0.85 KARS1 (0.40) MTORMAPK1WNT3AABL1

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 5 patents. 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
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
EP-3221316-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 — — EP disclosed
WO-2016079709-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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 IDH1 246/4885MTOR 395/4885PIK3CD 3771/4885

“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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