SCHEMBL6616467

SCHEMBL6616467

CCCCNC(=O)n1nc(-c2ccc(OC)cc2O)cc1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ EPHX2 P34913 2/20 0.40
▸ MAPT P10636 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HDAC3 O15379 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ACHE P22303 1/20 0.38
▸ MTNR1A P48039 2/20 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 0.90 MTNR1B (0.41) MAPTGAAALDH1A1KDM4EKMT2A
SCHEMBL6607134 0.88 MAPT (0.43) MAPTALDH1A1KDM4EHDAC3HDAC1
SCHEMBL6673844 0.84 TP53 (0.44) MAPTGAAALDH1A1KDM4EKMT2A
SCHEMBL6616704 0.84 KDM4E (0.41) MAPTGAAALDH1A1KDM4EKMT2A
SCHEMBL6617784 0.83 EPHX2 (0.42) EPHX2GAAKDM4EHPGDASAH1
SCHEMBL6619332 0.79 KMT2A (0.37) EPHX2GAACYP2C9CYP2C19KMT2A
SCHEMBL6614832 0.79 CRACR2A (0.47) GAAKDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL6617639 0.76 RAB9A (0.41) MAPTGAAALDH1A1CYP2D6CYP2C9
SCHEMBL6774492 0.75 POLB (0.36) GAAALDH1A1KDM4EKMT2AHPGD
SCHEMBL6616789 0.75 TGFBR1 (0.39) ASAH1

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 L3MBTL1 2180/4885EPHX2 2497/4885MAPT 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.

Send feedback