SCHEMBL3083342

SCHEMBL3083342

CCOc1cc2c(cc1O)C(=O)CC2

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 3/20 0.46
ACHE P22303 2/20 0.45
PBRM1 Q86U86 1/20 0.42
BRD4 O60885 1/20 0.42
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAOA P21397 1/20 0.38
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
PIM2 Q9P1W9 1/20 0.37
PDE4D Q08499 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
SCHEMBL3082824 0.86 ACHE (0.54) HSD17B1ACHEPBRM1BRD4KMT2A
SCHEMBL662848 0.81 ACHE (0.57) ACHEPBRM1MAOA
SCHEMBL7429220 0.78 MAOB (0.51) PBRM1ALDH1A1MAOA
SCHEMBL30701777 0.77 HTR2A (0.43) HSD17B1ACHEPBRM1BRD4MEN1
SCHEMBL27029704 0.77 HTR2A (0.43) HSD17B1ACHEPBRM1BRD4MEN1
SCHEMBL9620680 0.77 ACHE (0.51) HSD17B1ACHEMEN1KMT2AALDH1A1
SCHEMBL6199828 0.75 PTGS2 (0.56) HSD17B1ACHEMEN1KMT2AALDH1A1
SCHEMBL3081446 0.75 PTGS2 (0.59) HSD17B1ACHEPBRM1ALDH1A1MAOA
SCHEMBL2932814 0.74 PBRM1 (0.57) HSD17B1ACHEPBRM1MEN1KMT2A
SCHEMBL17043164 0.74 ACHE (0.42) HSD17B1ACHEPBRM1BRD4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170327468-A1 DESIGN, SYNTHESIS, AND BIOLOGICAL EVALUATION OF 1-METHYL-1, 4-DIHYRDOINDENO[1,2-C]PYRAZOLE ANALOGUES AS POTENTIAL ANTICANER AGENTS TARGETING TUBULIN COLCHICINE BINDING SITE JOYOCHEM CO., LTD (CN) 2017-11-16 US disclosed
US-7816390-B2 N-substituted tricyclic 3-aminopyrazoles as anti-mitotic tubulin polymerization inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-10-19 US disclosed
US-7816390-B2 N-substituted tricyclic 3-aminopyrazoles as anti-mitotic tubulin polymerization inhibitors JANSSEN PHARMACEUTICA NV (BE) 2010-10-19 US disclosed
US-7795440-B2 N-substituted tricyclic 1-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHARMACEUTICA NV (BE) 2010-09-14 US disclosed
EP-1506175-B1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-04-01 EP disclosed
US-20080227821-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS ANTI-MITOTIC TUBULIN POLYMERIZATION INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-09-18 US disclosed
US-20080227821-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS ANTI-MITOTIC TUBULIN POLYMERIZATION INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-09-18 US disclosed
WO-2008094896-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS ANTI-MITOTIC TUBULIN POLYMERIZATION INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2008-08-07 WO disclosed
US-20070142305-A1 N-substituted tricyclic 1-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders HO CHIH Y 2007-06-21 US disclosed
US-7196110-B2 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHAMACEUTICA N.V. (BE) 2007-03-27 US disclosed
EP-1682516-A2 IMMOBILIZED N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES FOR THE IDENTIFICATION OF BIOMOLECULAR TARGETS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-26 EP disclosed
US-20050130910-A1 Immobilized N-substituted tricyclic 3-aminopyrazoles for the identification of biomolecular targets JANSSEN PHARMACEUTICA, N.V. (BE) 2005-06-16 US disclosed
WO-2005049579-A2 IMMOBILIZED N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES FOR THE IDENTIFICATION OF BIOMOLECULAR TARGETS JANSSEN PHARMACEUTICA N.V. (BE) 2005-06-02 WO disclosed
EP-1506175-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDGF RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-16 EP disclosed
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders JANSSEN PHARMACEUTICA, N.V. (BE) 2004-04-29 US disclosed
WO-2003097609-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS PDFG RECEPTOR INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2003-11-27 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 (5 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-20080227821-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS ANTI-MITOTIC TUBULIN POLYMERIZATION INHIBITORS TUBB3, TUBB1, TUBA1C HSD17B1 1641/4885ACHE 3193/4885PBRM1 352/4885
US-20170327468-A1 DESIGN, SYNTHESIS, AND BIOLOGICAL EVALUATION OF 1-METHYL-1, 4-DIHYRDOINDENO[1,2-C]PYRAZOLE ANALOGUES AS POTENTIAL ANTICANER AGENTS TARGETING TUBULIN COLCHICINE BINDING SITE TUBA1C, TUBB1, TUBB3 HSD17B1 455/4885ACHE 2210/4885PBRM1 3136/4885
US-20070142305-A1 N-substituted tricyclic 1-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA HSD17B1 2188/4885ACHE 4821/4885PBRM1 530/4885
US-20050130910-A1 Immobilized N-substituted tricyclic 3-aminopyrazoles for the identification of biomolecular targets ABAT, NAT1, AADAC HSD17B1 1151/4885ACHE 2944/4885PBRM1 1320/4885
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA HSD17B1 2361/4885ACHE 4811/4885PBRM1 625/4885

“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.