SCHEMBL508433

SCHEMBL508433

CCc1c(Oc2cc(C#N)cc(C#N)c2)c(C(C)O)nn1CCOC1CCCCO1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.36
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KCNH2 Q12809 1/20 0.32
MET P08581 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL10251284 0.92 GCK (0.33) GCK
SCHEMBL508458 0.83 NPC1 (0.38) GCKMEN1KMT2AKCNH2MET
SCHEMBL509573 0.83 KCNH2 (0.37) GCKMEN1KMT2AKCNH2MET
SCHEMBL508231 0.81 L3MBTL1 (0.35) GCKKCNH2METKDM4CNPC1
SCHEMBL508425 0.81 MET (0.34) GCKMEN1KMT2AKCNH2MET
SCHEMBL509309 0.80 PGR (0.42) KCNH2
SCHEMBL14599375 0.79 MET (0.34) GCKMEN1KMT2AMETKDM4C
SCHEMBL508220 0.79 MET (0.35) GCKMEN1KMT2AKCNH2MET
SCHEMBL5157248 0.78 KDM4C (0.34) GCKMEN1KMT2AKCNH2MET
SCHEMBL509390 0.76 MET (0.36) GCKKCNH2METKDM4CNPC1

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 15 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-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
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 GCK 2938/4885MEN1 4693/4885KMT2A 2507/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 GCK 3010/4885MEN1 4729/4885KMT2A 3169/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD GCK 2442/4885MEN1 4837/4885KMT2A 3500/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 GCK 2645/4885MEN1 4636/4885KMT2A 3782/4885

“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.