SCHEMBL14860284

SCHEMBL14860284

Cn1cc(-c2cccc(C[C@@H](CO)NC(=O)O)c2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSV O60911 2/20 0.56
▸ CTSL P07711 2/20 0.56
▸ CTSS P25774 2/20 0.56
▸ CTSB P07858 1/20 0.56
▸ CTSK P43235 1/20 0.49
▸ HDAC8 Q9BY41 3/20 0.46
▸ GPR142 Q7Z601 1/20 0.45
▸ MME P08473 2/20 0.45
▸ GSK3B P49841 3/20 0.44
▸ WNT1 P04628 2/20 0.44
▸ DYRK1A Q13627 2/20 0.44
▸ AXL P30530 2/20 0.43
▸ MERTK Q12866 2/20 0.43
▸ ROCK2 O75116 2/20 0.42
▸ IRAK4 Q9NWZ3 2/20 0.42
▸ IRAK1 P51617 1/20 0.42
▸ MAPK1 P28482 3/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ PIM2 Q9P1W9 1/20 0.41

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
SCHEMBL14860265 0.78 CTSV (0.49) CTSVCTSLCTSSCTSBCTSK
SCHEMBL16675749 0.76 PRKCI (0.51) CTSVCTSLCTSSCTSBGSK3B
SCHEMBL21583905 0.75 CTSV (0.50) CTSVCTSLCTSSCTSBCTSK
SCHEMBL21583904 0.74 CTSS (0.51) CTSVCTSLCTSSCTSBCTSK
SCHEMBL31506073 0.73 CTSV (0.49) CTSVCTSLCTSSCTSBHDAC8
SCHEMBL31182034 0.72 PFKFB3 (0.48) CTSVCTSLCTSSCTSBDYRK1A
SCHEMBL17547081 0.72 PFKFB3 (0.48) CTSVCTSLCTSSCTSBDYRK1A
SCHEMBL9058014 0.71 CTSV (0.49) CTSVCTSLCTSSCTSBHDAC8
SCHEMBL3897966 0.71 MAPK1 (0.68) MMEGSK3BROCK2IRAK1MAPK1
SCHEMBL3959317 0.71 MAPK1 (0.68) MMEGSK3BROCK2IRAK1MAPK1

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-8895571-B2 Isoindolinone and pyrrolopyridinone derivatives as Akt inhibitors INCYTE CORPORATION (US) 2014-11-25 — — US disclosed
US-20130096144-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS INCYTE CORPORATION (US) 2013-04-18 — — 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-20130096144-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS MTOR, PDPK1, PIK3CA CTSV 4243/4885CTSL 4195/4885CTSS 3919/4885

“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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