SCHEMBL509573

SCHEMBL509573

CCc1nn(CCCOC2CCCCO2)c(CC)c1Oc1cc(C#N)cc(C#N)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MET P08581 1/20 0.34
KDM4C Q9H3R0 1/20 0.33
GCK P35557 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
P2RX3 P56373 3/20 0.32
TGFBR1 P36897 2/20 0.32
TGFBR2 P37173 1/20 0.32
CHEK1 O14757 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
SCHEMBL10251043 0.92 KCNH2 (0.32) KCNH2MEN1KMT2AMETGCK
SCHEMBL508458 0.91 NPC1 (0.38) KCNH2MEN1KMT2AMETKDM4C
SCHEMBL508231 0.90 L3MBTL1 (0.35) KCNH2METKDM4CGCKNPC1
SCHEMBL508425 0.89 MET (0.34) KCNH2MEN1KMT2AMETKDM4C
SCHEMBL508220 0.87 MET (0.35) KCNH2MEN1KMT2AMETKDM4C
SCHEMBL509390 0.84 MET (0.36) KCNH2METKDM4CGCKNPC1
SCHEMBL508433 0.83 GCK (0.36) KCNH2MEN1KMT2AMETKDM4C
SCHEMBL509852 0.83 L3MBTL1 (0.39) MEN1KMT2AMETKDM4CNPC1
SCHEMBL14599376 0.80 MET (0.34) KCNH2MEN1KMT2AMETKDM4C
SCHEMBL14599375 0.79 MET (0.34) MEN1KMT2AMETKDM4CGCK

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 16 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
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 KCNH2 3441/4885MEN1 4693/4885KMT2A 2507/4885
US-20060020012-A1 Pyrazole derivatives PDCD11, RTF1, REV1 KCNH2 3304/4885MEN1 4729/4885KMT2A 3169/4885
US-20120029192-A1 Pyrazole Derivatives POLRMT, PDCD11, DPYD KCNH2 3548/4885MEN1 4837/4885KMT2A 3500/4885
US-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 KCNH2 3503/4885MEN1 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.