SCHEMBL508220

SCHEMBL508220

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MET P08581 2/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNH2 Q12809 3/20 0.32
KDM4C Q9H3R0 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GCK P35557 1/20 0.31

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
SCHEMBL14599375 0.93 MET (0.34) METMEN1KMT2AKDM4CNPC1
SCHEMBL508458 0.88 NPC1 (0.38) METMEN1KMT2AKCNH2KDM4C
SCHEMBL508231 0.87 L3MBTL1 (0.35) METKCNH2KDM4CNPC1RAB9A
SCHEMBL509573 0.87 KCNH2 (0.37) METMEN1KMT2AKCNH2KDM4C
SCHEMBL508425 0.86 MET (0.34) METMEN1KMT2AKCNH2KDM4C
SCHEMBL509390 0.82 MET (0.36) METKCNH2KDM4CNPC1RAB9A
SCHEMBL10251043 0.81 KCNH2 (0.32) METMEN1KMT2AKCNH2GCK
SCHEMBL509955 0.81 KCNH2 (0.39) METMEN1KMT2AKCNH2NPC1
SCHEMBL509852 0.80 L3MBTL1 (0.39) METMEN1KMT2AKDM4CNPC1
SCHEMBL508433 0.79 GCK (0.36) METMEN1KMT2AKCNH2KDM4C

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 17 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-20060020012-A1 Pyrazole derivatives PFIZER INC 2006-01-26 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-20090215712-A1 PYRAZOLE DERIVATIVES RRM2B, REV1, RRM2 MET 4796/4885MEN1 4693/4885KMT2A 2507/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 MET 4692/4885MEN1 4729/4885KMT2A 3169/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD MET 4563/4885MEN1 4837/4885KMT2A 3500/4885

“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.