SCHEMBL508425

SCHEMBL508425

CCc1nn(CCOC2CCCCO2)c(CC)c1Oc1cc(C#N)cc(SC)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.34
KCNH2 Q12809 3/20 0.34
GCK P35557 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL14599376 0.92 MET (0.34) METKCNH2GCKKDM4CNPC1
SCHEMBL508458 0.91 NPC1 (0.38) METKCNH2GCKKDM4CNPC1
SCHEMBL508231 0.89 L3MBTL1 (0.35) METKCNH2GCKKDM4CNPC1
SCHEMBL509573 0.89 KCNH2 (0.37) METKCNH2GCKKDM4CNPC1
SCHEMBL508220 0.86 MET (0.35) METKCNH2GCKKDM4CNPC1
SCHEMBL10251043 0.85 KCNH2 (0.32) METKCNH2GCKMEN1KMT2A
SCHEMBL509390 0.84 MET (0.36) METKCNH2GCKKDM4CNPC1
SCHEMBL509852 0.82 L3MBTL1 (0.39) METKDM4CNPC1RAB9AMEN1
SCHEMBL508433 0.81 GCK (0.36) METKCNH2GCKKDM4CNPC1
SCHEMBL509331 0.79 KCNH2 (0.41) KCNH2

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 19 patents. 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-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
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-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 (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 MET 4796/4885KCNH2 3441/4885GCK 2938/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 MET 4692/4885KCNH2 3304/4885GCK 3010/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD MET 4563/4885KCNH2 3548/4885GCK 2442/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 MET 4720/4885KCNH2 3503/4885GCK 2645/4885

“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.