SCHEMBL508453

SCHEMBL508453

CCc1nn(CCO)c(CC)c1Oc1cccc(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.44
KCNH2 Q12809 3/20 0.38
TBXAS1 P24557 1/20 0.36
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PGGT1B P53609 1/20 0.34
PPARG P37231 1/20 0.34
ALOX12 P18054 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
EPAS1 Q99814 1/20 0.33
SYK P43405 1/20 0.33

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
SCHEMBL12133551 0.89 HAO1 (0.35) PGRFNTAFNTBPGGT1BPTGDR2
SCHEMBL507981 0.89 PGR (0.44) PGRKCNH2TBXAS1GRIA2GRIA4
Lersivirine SCHEMBL508446 0.89 KCNH2 (0.49) PGRKCNH2PTGDR2
SCHEMBL508358 0.88 PGR (0.45) PGRKCNH2TBXAS1FNTAFNTB
SCHEMBL4097849 0.86 PGR (0.59) PGRKCNH2HRH3
SCHEMBL508393 0.85 KCNH2 (0.44) PGRKCNH2GRIA2GRIA4
SCHEMBL509344 0.85 KCNH2 (0.41) PGRKCNH2TBXAS1GRIA2GRIA4
SCHEMBL4810598 0.85 PTGDR2 (0.45) PGRKCNH2GRIA2GRIA4PTGDR2
SCHEMBL2717137 0.84 KCNH2 (0.53) PGRKCNH2PTGDR2
SCHEMBL509240 0.84 PGR (0.47) PGRKCNH2GRIA2GRIA4PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP claimed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP claimed
EP-1377556-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV Pfizer Limited (GB) 2004-01-07 EP claimed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US claimed
WO-2002085860-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LIMITED (GB) 2002-10-31 WO claimed
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-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-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 US disclosed
US-7435728-B2 Pyrazole derivatives PFIZER INC (US) 2008-10-14 US disclosed
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 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
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
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 PGR 641/4885KCNH2 3441/4885TBXAS1 556/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 PGR 893/4885KCNH2 3304/4885TBXAS1 789/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD PGR 891/4885KCNH2 3548/4885TBXAS1 634/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 PGR 1045/4885KCNH2 3503/4885TBXAS1 553/4885

“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.