SCHEMBL509172

SCHEMBL509172

Cc1cc(C#N)cc(Oc2c(C(C)C)nn(CCN)c2C)c1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.42
PGR P06401 1/20 0.33
MGLL Q99685 1/20 0.31
SLC2A1 P11166 1/20 0.31
SLC2A2 P11168 1/20 0.31
SLC2A3 P11169 1/20 0.31
SLC2A4 P14672 1/20 0.31
CYP3A4 P08684 1/20 0.30
VEGFA P15692 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
SCHEMBL509041 0.83 KCNH2 (0.38) KCNH2PGRSLC2A1SLC2A2SLC2A3
SCHEMBL508881 0.81 KCNH2 (0.41) KCNH2PGRMGLLVEGFA
SCHEMBL509726 0.78 KCNH2 (0.34) KCNH2
SCHEMBL14599354 0.77 KCNH2 (0.52) KCNH2PGR
SCHEMBL509319 0.76 KCNH2 (0.38) KCNH2PGRCYP3A4
SCHEMBL10250513 0.76 KCNH2 (0.31) KCNH2PGR
SCHEMBL509117 0.76 KCNH2 (0.53) KCNH2PGRCYP3A4
SCHEMBL10250733 0.72
Phosphoric Acid SCHEMBL509020 0.71 KCNH2 (0.47) KCNH2PGRMGLL
Cadaverine Tartrate SCHEMBL508832 0.70 KCNH2 (0.45) KCNH2PGRMGLL

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 24 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-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
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 KCNH2 3304/4885PGR 893/4885MGLL 4333/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD KCNH2 3548/4885PGR 891/4885MGLL 4304/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 KCNH2 3503/4885PGR 1045/4885MGLL 4518/4885

“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.