SCHEMBL509945

SCHEMBL509945

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.35
MGLL Q99685 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
MET P08581 2/20 0.32
MAPT P10636 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
P2RX3 P56373 2/20 0.31
ATR Q13535 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
SCHEMBL509150 0.94 KDM4C (0.35) L3MBTL1KDM4CMETNPC1RAB9A
SCHEMBL509390 0.89 MET (0.36) KDM4CMETNPC1RAB9AATR
SCHEMBL509852 0.88 L3MBTL1 (0.39) L3MBTL1KDM4CMETNPC1RAB9A
SCHEMBL508231 0.82 L3MBTL1 (0.35) L3MBTL1KDM4CMETNPC1RAB9A
SCHEMBL508747 0.80 MEN1 (0.35) L3MBTL1KDM4COPRM1NPC1RAB9A
SCHEMBL14599714 0.80 L3MBTL1 (0.36) L3MBTL1KDM4CNPC1RAB9A
SCHEMBL508171 0.80 KAT6A (0.34) MGLLMAPT
SCHEMBL508458 0.76 NPC1 (0.38) KDM4CMETNPC1RAB9A
SCHEMBL509573 0.74 KCNH2 (0.37) KDM4CMETNPC1RAB9AP2RX3
SCHEMBL508425 0.74 MET (0.34) KDM4CMETNPC1RAB9A

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 L3MBTL1 611/4885MGLL 4393/4885KDM4C 1498/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 L3MBTL1 848/4885MGLL 4333/4885KDM4C 1561/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD L3MBTL1 2125/4885MGLL 4304/4885KDM4C 2153/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 L3MBTL1 1876/4885MGLL 4518/4885KDM4C 2413/4885

“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.