Sugi Predict

Sugi Predict / Compounds / SCHEMBL2928850

SCHEMBL2928850

SCHEMBL2928850

CCOC(=O)n1nc(NC(=O)c2ccc(N3CCN(C)C(C)C3)cc2)c2c1CN(C(=O)[C@H](OC)c1ccccc1)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 9/20 0.54
▸ AURKB Q96GD4 8/20 0.54
▸ ABL1 P00519 3/20 0.54
▸ NTRK1 P04629 3/20 0.54
▸ RET P07949 3/20 0.54
▸ FGFR1 P11362 3/20 0.54
▸ LIMK1 P53667 3/20 0.54
▸ BCR P11274 2/20 0.54
▸ PLK4 O00444 2/20 0.54
▸ JAK2 O60674 2/20 0.54
▸ MAP4K4 O95819 2/20 0.54
▸ LCK P06239 2/20 0.54
▸ FYN P06241 2/20 0.54
▸ FES P07332 2/20 0.54
▸ LYN P07948 2/20 0.54
▸ SRC P12931 2/20 0.54
▸ PHKG2 P15735 2/20 0.54
▸ FER P16591 2/20 0.54
▸ CDK2 P24941 2/20 0.54
▸ MARK3 P27448 2/20 0.54

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
SCHEMBL2927530 0.91 AURKA (0.52) AURKAAURKBABL1NTRK1RET
SCHEMBL1434388 0.91 AURKA (0.66) AURKAAURKBABL1NTRK1RET
SCHEMBL1434387 0.91 AURKA (0.66) AURKAAURKBABL1NTRK1RET
SCHEMBL2921317 0.89 AURKA (0.55) AURKAAURKBABL1NTRK1RET
SCHEMBL2919850 0.88 AURKA (0.59) AURKAAURKBABL1NTRK1RET
SCHEMBL3895809 0.88 AURKA (0.56) AURKAAURKBABL1NTRK1RET
SCHEMBL2925901 0.88 AURKA (0.56) AURKAAURKBABL1NTRK1RET
SCHEMBL3897754 0.88 AURKA (0.54) AURKAAURKBABL1NTRK1RET
SCHEMBL2927297 0.88 AURKA (0.56) AURKAAURKBABL1NTRK1RET
SCHEMBL2927150 0.87 AURKA (0.55) AURKAAURKBABL1NTRK1RET

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1644376-B1 PYRROLO 3,4-c PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2010-09-08 — — EP disclosed
US-7582628-B2 Pyrrolo[3,4-c]pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2009-09-01 — — US disclosed
US-20060276471-A1 Pyrrolo[3,4-c]pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (FORMERLY PHARMACIA ITALIA S.P.A.) (IT) 2006-12-07 — — US disclosed
US-7141568-B2 Pyrrolo[3,4-c]pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2006-11-28 — — 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-20060276471-A1 Pyrrolo[3,4-c]pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them MAP3K3, MAP3K19, MAP3K9 AURKA 350/4885AURKB 440/4885ABL1 264/4885

“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.