SCHEMBL509057

SCHEMBL509057

CCc1nn(CCO)c(CC)c1Oc1cc(C#N)cc(C(N)=O)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.41
KCNH2 Q12809 3/20 0.40
PARP15 Q460N3 1/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.32
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
F2 P00734 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
ST14 Q9Y5Y6 1/20 0.30
RARG P13631 1/20 0.30
RORC P51449 1/20 0.30

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
SCHEMBL14599488 0.90 KCNH2 (0.40) PGRKCNH2PARP15PARP10PARP2
Lersivirine SCHEMBL508446 0.89 KCNH2 (0.49) PGRKCNH2PTGDR2ALDH1A1LMNA
SCHEMBL5231006 0.88 KCNH2 (0.41) PGRKCNH2PTGDR2ALDH1A1
SCHEMBL508505 0.88 PGR (0.40) PGRKCNH2PARP15PARP10PARP2
Lersivirine SCHEMBL509058 0.86 KCNH2 (0.45) PGRKCNH2PTGDR2ALDH1A1LMNA
SCHEMBL508393 0.86 KCNH2 (0.44) PGRKCNH2ALDH1A1LMNA
SCHEMBL509125 0.85 P2RX3 (0.35) PGRKCNH2LMNARARGRORC
Lersivirine SCHEMBL508803 0.85 KCNH2 (0.44) PGRKCNH2PTGDR2
SCHEMBL509429 0.85 KCNH2 (0.44) PGRKCNH2PTGDR2
SCHEMBL2717137 0.85 KCNH2 (0.53) PGRKCNH2PTGDR2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874900-B1 IMPROVED NUCLEIC ACIDS ENCODING A CHIMERIC GLYCOSYLTRANSFERASE AUSTIN RESEARCH INST (AU) 2007-10-03 EP claimed
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-8063044-B2 Pyrazole derivatives PFIZER INC. (US) 2011-11-22 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
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 (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-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 PGR 893/4885KCNH2 3304/4885PARP15 239/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD PGR 891/4885KCNH2 3548/4885PARP15 261/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 PGR 1045/4885KCNH2 3503/4885PARP15 471/4885

“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.