SCHEMBL6618177

SCHEMBL6618177

CCNC(=O)n1nc(-c2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2O)cc1C1CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.47
▸ RAF1 P04049 9/20 0.46
▸ BRAF P15056 7/20 0.46
▸ CCNA2 P20248 1/20 0.45
▸ CDK2 P24941 1/20 0.45
▸ CCNA1 P78396 1/20 0.45
▸ CHRM4 P08173 1/20 0.45
▸ CHRM5 P08912 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ CHRM3 P20309 1/20 0.45
▸ ESR1 P03372 1/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ LCK P06239 1/20 0.44
▸ BTK Q06187 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL6616122 0.92 RAF1 (0.46) POLBCTDSP1RAF1BRAF
SCHEMBL6651874 0.90 POLB (0.47) POLBCTDSP1RAF1BRAFCHRM4
SCHEMBL6615338 0.89 RAF1 (0.44) POLBCTDSP1RAF1BRAFCHRM4
SCHEMBL6614620 0.88 RAF1 (0.47) POLBCTDSP1RAF1BRAFCCNA2
SCHEMBL6618212 0.88 CCR2 (0.43) POLBCTDSP1RAF1BRAFCCNA2
SCHEMBL6614038 0.86 KCNK3 (0.44) POLBCTDSP1RAF1BRAFPTGS1
SCHEMBL6615089 0.86 POLB (0.42) POLBCTDSP1RAF1BRAFPTGS1
SCHEMBL6615991 0.86 NPSR1 (0.46) POLBCTDSP1RAF1BRAFPTGS1
SCHEMBL6621456 0.85 MEN1 (0.44) MEN1RAB9AKMT2ASMN1; SMN2KCNK9
SCHEMBL6626821 0.85 RAF1 (0.46) POLBCTDSP1RAF1BRAFESR1

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 POLB 3561/4885CTDSP1 571/4885RAF1 141/4885

“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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