SCHEMBL6300554

SCHEMBL6300554

CCOC(=O)c1cc2cc(Oc3ccccc3)ccc2[nH]1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.74
KDM4E B2RXH2 3/20 0.72
ALDH1A1 P00352 3/20 0.72
HPGD P15428 3/20 0.72
RAB9A P51151 3/20 0.72
NPC1 O15118 2/20 0.72
LMNA P02545 2/20 0.72
HTT P42858 1/20 0.72
L3MBTL1 Q9Y468 1/20 0.72
KMT2A Q03164 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.67
MEN1 O00255 1/20 0.67
GLA P06280 1/20 0.67
GAA P10253 1/20 0.67
MAPT P10636 1/20 0.67
ATM Q13315 1/20 0.67
HSD17B10 Q99714 1/20 0.65
FLT3 P36888 1/20 0.64
HRH3 Q9Y5N1 1/20 0.64
MMP13 P45452 6/20 0.60

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
SCHEMBL8870168 0.91 KDM4E (0.75) XDHKDM4EALDH1A1HPGDRAB9A
SCHEMBL20415375 0.90 HRH3 (0.77) XDHKDM4EALDH1A1HPGDRAB9A
SCHEMBL8868735 0.90 RAB9A (0.85) XDHKDM4EALDH1A1HPGDRAB9A
SCHEMBL31287713 0.89 KDM4E (0.70) XDHKDM4EALDH1A1HPGDRAB9A
SCHEMBL31287767 0.89 KDM4E (0.70) XDHKDM4EALDH1A1HPGDRAB9A
SCHEMBL31287683 0.85 KDM4E (0.66) XDHKDM4EALDH1A1HPGDRAB9A
SCHEMBL31287769 0.85 KDM4E (0.69) XDHKDM4EALDH1A1HPGDRAB9A
SCHEMBL8869770 0.85 KDM4E (0.62) XDHKDM4EALDH1A1HPGDRAB9A
SCHEMBL710398 0.84 KDM4E (0.73) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL75327 0.84 KDM4E (1.00) KDM4EALDH1A1HPGDRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471786-B1 AMINOPYRAZOLE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-11-04 EP disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 US disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 US disclosed
EP-2471786-A1 AMINOPYRAZOLE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-07-04 EP disclosed
US-6953809-B2 Monocyte chemoattractant protein-1 inhibitor compounds ZENECA LIMITED (GB) 2005-10-11 US disclosed
EP-1003504-B1 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ASTRAZENECA AB (SE) 2003-07-02 EP disclosed
US-20030119830-A1 Monocyte chemoattractant protein-1 inhibitor compounds ZENECA LIMITED 2003-06-26 US disclosed
US-6441004-B1 INDOLE DERIVATIVES AS ANTIINFLAMMATORY AGENTS ZENECA LIMITED (GB) 2002-08-27 US disclosed
EP-1003504-A2 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS AstraZeneca UK Limited (GB) 2000-05-31 EP disclosed
WO-1999007351-A2 INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS ZENECA LIMITED (GB) 1999-02-18 WO disclosed
WO-1992021678-A1 LIPOXYGENASE INHIBITING PYRROLO [1,2a]INDOLE COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1992-12-10 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 (3 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-20120208811-A1 Aminopyrazole Derivative FGFR1, FGFR3, FGFR4 XDH 1993/4885KDM4E 1500/4885ALDH1A1 919/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 XDH 160/4885KDM4E 2063/4885ALDH1A1 873/4885
US-20030119830-A1 Monocyte chemoattractant protein-1 inhibitor compounds CCL2, CCL11, CCR1 XDH 862/4885KDM4E 3717/4885ALDH1A1 1888/4885

“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.