SCHEMBL6616145

SCHEMBL6616145

COc1ccc(C(=O)Nc2ccc(-c3cc(C4CC4)[nH]n3)c(O)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 4/20 0.66
▸ CDK2 P24941 4/20 0.66
▸ CCNA1 P78396 4/20 0.66
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ MAPT P10636 3/20 0.51
▸ RAB9A P51151 5/20 0.49
▸ NPC1 O15118 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ TP53 P04637 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ ALOX15 P16050 1/20 0.49
▸ HPGDS O60760 1/20 0.48
▸ CA12 O43570 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ ROCK2 O75116 1/20 0.48
▸ HTT P42858 1/20 0.48

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
SCHEMBL6773561 0.79 MAPT (0.48) CCNA2CDK2CCNA1KMT2AMEN1
SCHEMBL28617518 0.76 MEN1 (0.59) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL5868042 0.73 CCNA2 (0.63) CCNA2CDK2CCNA1KMT2AMEN1
SCHEMBL16589419 0.72 NPC1 (0.69) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL5868144 0.70 CDK2 (0.81) CCNA2CDK2CCNA1HPGDS
SCHEMBL22415509 0.70 RAB9A (0.55) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL12515373 0.70 HPSE (0.57) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL21242880 0.70 NPC1 (0.65) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL16592199 0.70 KMT2A (0.69) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL6799157 0.69 RAB9A (1.00) KMT2AMEN1MAPTRAB9ANPC1

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 3 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 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 CCNA2 1086/4885CDK2 82/4885CCNA1 484/4885

“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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