SCHEMBL6619332

SCHEMBL6619332

CCCNC(=O)n1nc(-c2ccccc2O)cc1C1CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ BCHE P06276 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ EPHX2 P34913 2/20 0.36
▸ IKBKB O14920 2/20 0.36
▸ GAA P10253 1/20 0.35
▸ ASAH1 Q13510 3/20 0.35
▸ HTT P42858 1/20 0.34
▸ SIRT5 Q9NXA8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ HTR2B P41595 1/20 0.34

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
SCHEMBL6614097 0.91 IKBKB (0.39) KMT2AMEN1CYP2C19CYP2C9IKBKB
SCHEMBL6616638 0.84 L3MBTL1 (0.40) KMT2AGAA
SCHEMBL6615928 0.83 HPGD (0.45) KMT2AMEN1CYP2C19IKBKBHTT
SCHEMBL6617639 0.83 RAB9A (0.41) KMT2AMEN1CYP2C19CYP2C9NPSR1
SCHEMBL6617784 0.82 EPHX2 (0.42) EPHX2GAAASAH1
SCHEMBL6603375 0.81 KMT2A (0.41) KMT2AMEN1CYP2C19CYP2C9NPSR1
SCHEMBL6618025 0.81 CHRM5 (0.42) —
SCHEMBL6618348 0.81 KDM5A (0.40) KMT2AMEN1CYP2C9IKBKB
SCHEMBL6613489 0.81 MAPK14 (0.39) KMT2AMEN1CYP2C19CYP2C9GAA
SCHEMBL6608277 0.80 AAK1 (0.39) KMT2AMEN1CYP2C19CYP2C9IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP claimed
US-20040010027-A1 Hydroxphenyl-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical comositions comprising them PHARMACIA & UPJOHN SPA (IT) 2004-01-15 — — US claimed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — WO claimed
EP-1458379-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM Pharmacia Italia S.p.A. (IT) 2004-09-22 — — EP disclosed
US-20040010027-A1 Hydroxphenyl-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical comositions comprising them PHARMACIA & UPJOHN SPA (IT) 2004-01-15 — — US disclosed
WO-2003051358-A1 HYDROXYPHENYL-PYRAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA SPA (IT) 2003-06-26 — — 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-20040010027-A1 Hydroxphenyl-pyrazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical comositions comprising them CNKSR1, CSNK1A1, CDK6 KMT2A 2713/4885MEN1 4295/4885CYP2C19 3480/4885

“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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