SCHEMBL508747

SCHEMBL508747

CCc1nn(CCOC2CCCCO2)c(CC)c1Oc1cc(F)cc(C(N)=O)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PLK1 P53350 1/20 0.34
GCK P35557 1/20 0.32
ICAM1 P05362 1/20 0.32
SELE P16581 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRK1 P41145 1/20 0.31
KCNH2 Q12809 1/20 0.31
P2RX3 P56373 3/20 0.31
ADORA3 P0DMS8 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL14599714 0.92 L3MBTL1 (0.36) MEN1KMT2AL3MBTL1KDM4CNPC1
SCHEMBL509852 0.90 L3MBTL1 (0.39) MEN1KMT2AL3MBTL1P2RX3ADORA3
SCHEMBL508231 0.86 L3MBTL1 (0.35) L3MBTL1GCKKCNH2KDM4CNPC1
SCHEMBL509945 0.80 L3MBTL1 (0.35) L3MBTL1OPRM1P2RX3KDM4CNPC1
SCHEMBL509348 0.80 P2RX3 (0.35) OPRM1OPRK1KCNH2P2RX3
SCHEMBL509125 0.80 P2RX3 (0.35) OPRM1OPRK1KCNH2P2RX3
SCHEMBL508458 0.79 NPC1 (0.38) MEN1KMT2AGCKKCNH2KDM4C
SCHEMBL509573 0.77 KCNH2 (0.37) MEN1KMT2AGCKKCNH2P2RX3
SCHEMBL508425 0.77 MET (0.34) MEN1KMT2AGCKKCNH2KDM4C
SCHEMBL509150 0.75 KDM4C (0.35) MEN1KMT2AL3MBTL1P2RX3ADORA3

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 MEN1 4693/4885KMT2A 2507/4885L3MBTL1 611/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 MEN1 4729/4885KMT2A 3169/4885L3MBTL1 848/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD MEN1 4837/4885KMT2A 3500/4885L3MBTL1 2125/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 MEN1 4636/4885KMT2A 3782/4885L3MBTL1 1876/4885

“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.