SCHEMBL509487

SCHEMBL509487

CCOC(=O)c1ccnc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 3/20 0.53
KDM5A P29375 1/20 0.53
KDM5C P41229 1/20 0.53
KDM4C Q9H3R0 1/20 0.53
ALDH1A1 P00352 1/20 0.45
JMJD6 Q6NYC1 3/20 0.44
PIK3CA P42336 1/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NAMPT P43490 3/20 0.42
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
BRD4 O60885 1/20 0.40
ALOX15 P16050 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL27426145 0.90 ACACB (0.43) KDM5BKDM5AKDM5CKDM4CKDM4E
SCHEMBL31133034 0.89 ATR (0.47) KDM5BKDM5AKDM5CKDM4CJMJD6
SCHEMBL12682404 0.89 ATR (0.47) KDM5BKDM5AKDM5CKDM4CJMJD6
SCHEMBL30097021 0.85 ACACB (0.46) KDM5BKDM5AKDM5CKDM4CALDH1A1
SCHEMBL508770 0.85 ACACB (0.46) KDM5BKDM5AKDM5CKDM4CALDH1A1
SCHEMBL10285171 0.84 KDM5A (0.46) KDM5BKDM5AKDM5CKDM4CKDM4E
SCHEMBL15637121 0.83 KDM5B (0.62) KDM5BKDM5AKDM5CKDM4CJMJD6
SCHEMBL21455931 0.83 L3MBTL1 (0.45) MAPTNAMPTACACBACACALMNA
SCHEMBL933096 0.82 GLS (0.41) MAPTNAMPTLMNABRD4CA12
SCHEMBL16020311 0.82 KDM4A (0.44) NAMPTACACBACACABRD4CA12

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1762567-B1 Pyrazole derivatives for treating HIV PFIZER LTD (GB) 2012-05-02 EP disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-20120029192-A1 Pyrazole Derivatives PFIZER INC 2012-02-02 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 US disclosed
US-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 US disclosed
EP-1814846-B1 11BETA-HSD1 INHIBITORS EVOTEC AG (DE) 2009-04-08 EP disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US disclosed
EP-1814846-A1 11BETA-HSD1 INHIBITORS Evotec AG (DE) 2007-08-08 EP disclosed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP disclosed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP disclosed
US-7109228-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
WO-2006048330-A1 11ΒΕΤΑ-HSD1 INHIBITORS EVOTEC AG (DE) 2006-05-11 WO disclosed
US-20060020012-A1 Pyrazole derivatives PFIZER INC 2006-01-26 US disclosed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 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 (4 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-20090215712-A1 PYRAZOLE DERIVATIVES RRM2B, REV1, RRM2 KDM5B 1401/4885KDM5A 974/4885KDM5C 1326/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 KDM5B 1873/4885KDM5A 1292/4885KDM5C 1524/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD KDM5B 1835/4885KDM5A 1351/4885KDM5C 1435/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 KDM5B 2230/4885KDM5A 1577/4885KDM5C 1728/4885

“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.