Sugi Predict

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SCHEMBL4278036

SCHEMBL4278036

CCOC(=O)n1nc(NC(=O)c2ccc(N3CCN(C)CC3)c(N(C)CCOC)c2)c2c1CN(C(=O)OC(C)(C)C)C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.35
▸ ATM Q13315 1/20 0.34
▸ MAPK11 Q15759 2/20 0.33
▸ BRAF P15056 2/20 0.33
▸ KIT P10721 1/20 0.33
▸ FLT3 P36888 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MAPK13 O15264 1/20 0.32
▸ MAPK12 P53778 1/20 0.32
▸ WDR5 P61964 2/20 0.32
▸ BACE1 P56817 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
SCHEMBL4293087 0.85 FGFR1 (0.35) MAPK14MAPK11BRAFFLT3LMNA
Hydrochloric Acid SCHEMBL4293085 0.84 FGFR1 (0.34) MAPK14MAPK11BRAFFLT3LMNA
SCHEMBL4282647 0.84 TAAR1 (0.43) BRAFWDR5NTRK1
SCHEMBL4278011 0.83 MAPT (0.47) LMNAMAPTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL2921535 0.83 SMN1; SMN2 (0.48) KITFLT3LMNAMAPTSMN1; SMN2
SCHEMBL4279263 0.82 IGF1R (0.39) LMNAMAPTSMN1; SMN2NPSR1ALDH1A1
SCHEMBL2929524 0.76 SMN1; SMN2 (0.47) ATMKITFLT3LMNAMAPT
SCHEMBL2926843 0.76 SMN1; SMN2 (0.47) ATMKITFLT3LMNAMAPT
SCHEMBL4281362 0.75 ALK (0.39) LMNAMAPTSMN1; SMN2ALDH1A1MEN1
SCHEMBL2921169 0.75 SMN1; SMN2 (0.46) ATMKITFLT3LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012487-B2 Bicyclo-pyrazoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-04-21 — — US disclosed
US-9012487-B2 Bicyclo-pyrazoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-04-21 — — US disclosed
US-9012487-B2 Bicyclo-pyrazoles active as kinase inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-04-21 — — US disclosed
EP-1999131-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-10-23 — — EP disclosed
EP-1999131-B1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2013-10-23 — — EP disclosed
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2009-05-28 — — US disclosed
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2009-05-28 — — US disclosed
US-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L (IT) 2009-05-28 — — 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-20090136513-A1 BICYCLO-PYRAZOLES ACTIVE AS KINASE INHIBITORS MAP3K19, CDK2, MAP3K1 MAPK14 109/4885ATM 322/4885MAPK11 163/4885

“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.