SCHEMBL19699674

SCHEMBL19699674

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cc(N4CCNC4=O)ccn2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 11/20 0.37
▸ ABL1 P00519 1/20 0.34
▸ WNT3A P56704 2/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ JAK3 P52333 1/20 0.32
▸ MTOR P42345 1/20 0.32
▸ PIK3C3 Q8NEB9 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
SCHEMBL17778673 0.89 MAPK1 (0.39) MAPK1ABL1WNT3APIM1PIM2
SCHEMBL19689652 0.89 MAPK1 (0.39) MAPK1ABL1WNT3APIM1PIM2
SCHEMBL17778888 0.88 PIM1 (0.38) MAPK1ABL1WNT3APIM1PIM2
SCHEMBL17768176 0.88 IDH1 (0.34) MAPK1ABL1WNT3AJAK3MTOR
SCHEMBL16754282 0.86 KARS1 (0.40) MAPK1ABL1WNT3AGSK3BMTOR
SCHEMBL17778323 0.86 KARS1 (0.40) MAPK1ABL1WNT3AGSK3BMTOR
SCHEMBL19706795 0.86 PSEN1 (0.41) MAPK1MTOR
SCHEMBL19689792 0.86 PSEN1 (0.41) MAPK1MTOR
SCHEMBL19706688 0.85 WNT3A (0.43) MAPK1ABL1WNT3APIM1PIM2
SCHEMBL19689656 0.85 WNT3A (0.43) MAPK1ABL1WNT3APIM1PIM2

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-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

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 MAPK1 1307/4885ABL1 3898/4885WNT3A 4482/4885

“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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