SCHEMBL4718347

SCHEMBL4718347

Cc1n[nH]c(C)c1Oc1cc(C#N)cc(C#N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.54
ENPP3 O14638 1/20 0.51
ALPL P05186 1/20 0.51
ENPP1 P22413 1/20 0.51
XIAP P98170 1/20 0.51
CYP3A4 P08684 3/20 0.37
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
DHODH Q02127 1/20 0.34
NAAA Q02083 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 3/20 0.33
MAPT P10636 2/20 0.33
ALOX12 P18054 2/20 0.33
HTT P42858 2/20 0.33
HIF1A Q16665 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
EPAS1 Q99814 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL14303593 0.92 KCNH2 (0.59) KCNH2ENPP3ALPLENPP1XIAP
SCHEMBL509165 0.90 KCNH2 (0.58) KCNH2ENPP3ALPLENPP1XIAP
SCHEMBL4104852 0.84 ENPP3 (0.55) KCNH2ENPP3ALPLENPP1XIAP
SCHEMBL4109187 0.83 ENPP3 (0.50) KCNH2ENPP3ALPLENPP1XIAP
SCHEMBL5228264 0.82 KCNH2 (0.49) KCNH2ENPP3ALPLENPP1XIAP
SCHEMBL509235 0.82 KCNH2 (0.49) KCNH2ENPP3ALPLENPP1XIAP
SCHEMBL4715258 0.81 KCNH2 (0.58) KCNH2ENPP3ALPLENPP1XIAP
SCHEMBL4766433 0.81 KCNH2 (0.58) KCNH2ENPP3ALPLENPP1XIAP
SCHEMBL5176401 0.80 KCNH2 (0.47) KCNH2ENPP3ALPLENPP1XIAP
SCHEMBL4772293 0.77 KCNH2 (0.53) KCNH2CYP3A4CYP2C9CYP2C19SMN1; SMN2

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556381-B1 PYRAZOLE AMIDES FOR TREATING HIV INFECTIONS PFIZER LTD (GB) 2008-02-20 EP disclosed
EP-1556381-B1 PYRAZOLE AMIDES FOR TREATING HIV INFECTIONS PFIZER LTD (GB) 2008-02-20 EP disclosed
EP-1551828-B1 PYRAZOLE DERIVATIVES PFIZER LTD (GB) 2008-01-23 EP disclosed
US-7157468-B2 Pyrazole derivatives PFIZER INC. (US) 2007-01-02 US disclosed
US-7157468-B2 Pyrazole derivatives PFIZER INC. (US) 2007-01-02 US disclosed
US-7157468-B2 Pyrazole derivatives PFIZER INC. (US) 2007-01-02 US disclosed
US-6933312-B2 Pyrazole derivatives AGOURON PHARMACEUTICALS, INC. (US) 2005-08-23 US disclosed
EP-1556381-A1 PYRAZOLE AMIDES FOR TREATING HIV INFECTIONS Pfizer Limited (GB) 2005-07-27 EP disclosed
EP-1551828-A1 PYRAZOLE DERIVATIVES Pfizer Limited (GB) 2005-07-13 EP disclosed
US-20050004129-A1 Pyrazole derivatives PFIZER, INC. 2005-01-06 US disclosed
US-20040133002-A1 Pyrazole derivatives PFIZER, INC. 2004-07-08 US disclosed
WO-2004031178-A1 PYRAZOLE DERIVATIVES PFIZER LIMITED (GB) 2004-04-15 WO disclosed
WO-2004029051-A1 PYRAZOLE AMIDES FOR TREATING HIV INFECTIONS PFIZER LIMITED (GB) 2004-04-08 WO 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 (2 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-20040133002-A1 Pyrazole derivatives REV1, RRS1, CYP2F1 KCNH2 3181/4885ENPP3 1365/4885ALPL 2578/4885
US-20050004129-A1 Pyrazole derivatives RTF1, RRM2B, RRM2 KCNH2 2921/4885ENPP3 1100/4885ALPL 2537/4885

“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.