SCHEMBL509240

SCHEMBL509240

CCc1nn(CC(N)=O)c(CC)c1Oc1cccc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 6/20 0.47
SYK P43405 1/20 0.39
BACE1 P56817 2/20 0.37
KCNH2 Q12809 1/20 0.36
PTGDR2 Q9Y5Y4 4/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MGLL Q99685 1/20 0.35
PRSS1 P07477 1/20 0.35
ACR P10323 1/20 0.35
GRIA2 P42262 1/20 0.35
GRIA4 P48058 1/20 0.35
PRKDC P78527 1/20 0.34

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
SCHEMBL4810598 0.91 PTGDR2 (0.45) PGRBACE1KCNH2PTGDR2HRH3
SCHEMBL12133564 0.90 PGR (0.39) PGRPTGDR2
SCHEMBL509696 0.89 PGR (0.48) PGRKCNH2PTGDR2PRKDC
SCHEMBL10250661 0.88 LMNA (0.42) PGRSYKPTGDR2
SCHEMBL4114826 0.87 PGR (0.62) PGRMGLLPRKDC
SCHEMBL508453 0.84 PGR (0.44) PGRSYKKCNH2PTGDR2HRH3
SCHEMBL507981 0.84 PGR (0.44) PGRSYKKCNH2GRIA2GRIA4
SCHEMBL10250660 0.82 PGR (0.42) PGRKCNH2PTGDR2PRKDC
SCHEMBL4099713 0.81 PGR (0.42) PGRKCNH2PTGDR2
SCHEMBL508358 0.81 PGR (0.45) PGRKCNH2

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 20 patents. 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
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US 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-20090215712-A1 PYRAZOLE DERIVATIVES PFIZER INC 2009-08-27 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-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 641/4885SYK 3250/4885BACE1 1229/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 PGR 893/4885SYK 3249/4885BACE1 1193/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD PGR 891/4885SYK 3411/4885BACE1 1153/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 PGR 1045/4885SYK 3673/4885BACE1 834/4885

“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.