SCHEMBL3085833

SCHEMBL3085833

CCOc1cccc(N=C=S)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.49
TP53 P04637 2/20 0.49
MIF P14174 1/20 0.44
NQO1 P15559 1/20 0.43
LTA4H P09960 1/20 0.43
HSD17B10 Q99714 2/20 0.41
HTT P42858 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB2 P47870 1/20 0.41
MAPT P10636 5/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ESR2 Q92731 1/20 0.40
HPGD P15428 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 2/20 0.39

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
SCHEMBL1012663 0.83 CYP3A4 (0.49) CYP3A4TP53NQO1LTA4HHSD17B10
SCHEMBL23558 0.80 HTR3E (0.53) CYP3A4MIFHSD17B10MAPTALDH1A1
SCHEMBL6119686 0.80 CYP2D6 (0.39) CYP3A4TP53MIFHSD17B10GABRA1
SCHEMBL631317 0.80 NQO1 (0.58) CYP3A4TP53MIFNQO1LTA4H
SCHEMBL1399693 0.79 MAOB (0.53) MIFLMNACYP1A2CYP2C19
SCHEMBL29444412 0.78 MIF (0.50) CYP3A4TP53MIFMAPTALDH1A1
SCHEMBL5532468 0.77 TP53 (0.53) CYP3A4TP53NQO1LTA4HHSD17B10
SCHEMBL5796149 0.76 MIF (0.44) CYP3A4TP53MIFHTTGABRA1
SCHEMBL9857139 0.75 MIF (0.47) CYP3A4TP53MIFHSD17B10GABRA1
SCHEMBL28866376 0.75 MIF (0.52) CYP3A4TP53MIFHSD17B10HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10059674-B2 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 ACT PHARMA CO., LTD. (CN) 2018-08-28 US claimed
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 claimed
US-10059674-B2 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 ACT PHARMA CO., LTD. (CN) 2018-08-28 US disclosed
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-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
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
US-4112100-A INCREASING THE ENDOGENOUS PRODUCTION OF PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-09-05 US 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 (6 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-10059674-B2 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 CYP3A4 106/4885TP53 108/4885MIF 1953/4885
US-20080227821-A1 N-SUBSTITUTED TRICYCLIC 3-AMINOPYRAZOLES AS ANTI-MITOTIC TUBULIN POLYMERIZATION INHIBITORS TUBB3, TUBB1, TUBA1C CYP3A4 2393/4885TP53 206/4885MIF 2420/4885
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 CYP3A4 106/4885TP53 108/4885MIF 1953/4885
US-20070142305-A1 N-substituted tricyclic 1-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA CYP3A4 2935/4885TP53 109/4885MIF 2942/4885
US-20050130910-A1 Immobilized N-substituted tricyclic 3-aminopyrazoles for the identification of biomolecular targets ABAT, NAT1, AADAC CYP3A4 14/4885TP53 1853/4885MIF 620/4885
US-20040082639-A1 N-substituted tricyclic 3-aminopyrazoles as inhibitors for the treatment of cell proliferative disorders PDGFRA, PDGFRB, PDGFA CYP3A4 2964/4885TP53 94/4885MIF 2934/4885

“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.