SCHEMBL509150

SCHEMBL509150

CCc1nn(CCOC2CCCCO2)c(CC)c1Oc1cc(-n2cccn2)cc(-n2cccn2)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.35
MET P08581 3/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
P2RX3 P56373 2/20 0.32
ATR Q13535 1/20 0.31
TGFBR1 P36897 2/20 0.31
TGFBR2 P37173 1/20 0.31
SLC6A4 P31645 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL509945 0.94 L3MBTL1 (0.35) KDM4CMETNPC1RAB9AP2RX3
SCHEMBL509390 0.93 MET (0.36) KDM4CMETNPC1RAB9AATR
SCHEMBL509852 0.82 L3MBTL1 (0.39) KDM4CMETNPC1RAB9AP2RX3
SCHEMBL508458 0.79 NPC1 (0.38) KDM4CMETNPC1RAB9AHRH3
SCHEMBL508919 0.78 RARG (0.33) MEN1KMT2A
SCHEMBL508231 0.77 L3MBTL1 (0.35) KDM4CMETNPC1RAB9AL3MBTL1
SCHEMBL509573 0.77 KCNH2 (0.37) KDM4CMETNPC1RAB9AP2RX3
SCHEMBL508425 0.77 MET (0.34) KDM4CMETNPC1RAB9AMEN1
SCHEMBL508747 0.75 MEN1 (0.35) KDM4CNPC1RAB9AP2RX3MEN1
SCHEMBL14599714 0.75 L3MBTL1 (0.36) KDM4CNPC1RAB9AMEN1KMT2A

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 KDM4C 1498/4885MET 4796/4885NPC1 3331/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 KDM4C 1561/4885MET 4692/4885NPC1 3490/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD KDM4C 2153/4885MET 4563/4885NPC1 2912/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 KDM4C 2413/4885MET 4720/4885NPC1 2071/4885

“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.