SCHEMBL6616704

SCHEMBL6616704

CCNC(=O)n1nc(-c2cc(OC)ccc2O)cc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.41
▸ GAA P10253 5/20 0.41
▸ MAPT P10636 5/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ MTNR1B P49286 4/20 0.40
▸ MTNR1A P48039 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ BRD4 O60885 2/20 0.38
▸ KMT2A Q03164 6/20 0.37
▸ MEN1 O00255 5/20 0.37
▸ HPGD P15428 4/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ ALOX15 P16050 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL6618060 0.94 MTNR1B (0.41) KDM4EGAAMAPTALDH1A1HSD17B10
SCHEMBL6617903 0.88 PKM (0.39) KDM4EGAAMAPTALDH1A1MTNR1B
SCHEMBL6618119 0.86 HPGD (0.41) KDM4EGAAMAPTALDH1A1KMT2A
SCHEMBL6614097 0.85 IKBKB (0.39) MAPTALDH1A1BRD4KMT2AMEN1
SCHEMBL6616467 0.84 L3MBTL1 (0.40) KDM4EGAAMAPTALDH1A1MTNR1B
SCHEMBL6673844 0.82 TP53 (0.44) KDM4EGAAMAPTALDH1A1BRD4
SCHEMBL6616789 0.81 TGFBR1 (0.39) CCNE1CDK2
SCHEMBL6604966 0.79 KMT2A (0.42) GAAKMT2AMEN1LMNANPSR1
SCHEMBL6619635 0.79 KDM5A (0.41) KDM4EMAPTALDH1A1HSD17B10POLB
SCHEMBL6616791 0.79 MAPK14 (0.40) KDM4EGAAALDH1A1KMT2AMEN1

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 KDM4E 1717/4885GAA 2828/4885MAPT 3418/4885

“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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