SCHEMBL4766433

SCHEMBL4766433

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

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.58
CYP3A4 P08684 4/20 0.36
CSNK2A1 P68400 3/20 0.36
CYP2C9 P11712 3/20 0.36
CYP2C19 P33261 2/20 0.36
ENPP3 O14638 1/20 0.34
ALPL P05186 1/20 0.34
ENPP1 P22413 1/20 0.34
XIAP P98170 1/20 0.34
PIM1 P11309 2/20 0.32
PGR P06401 1/20 0.32
CYP2D6 P10635 1/20 0.32
PIK3R1 P27986 2/20 0.31
PIK3CA P42336 2/20 0.31

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
SCHEMBL4715258 0.86 KCNH2 (0.58) KCNH2CYP3A4CYP2C9CYP2C19ENPP3
SCHEMBL508019 0.83 KCNH2 (0.49) KCNH2CYP3A4CSNK2A1CYP2C9CYP2C19
SCHEMBL4772293 0.82 KCNH2 (0.53) KCNH2CYP3A4CYP2C9CYP2C19PGR
SCHEMBL4718347 0.81 KCNH2 (0.54) KCNH2CYP3A4CYP2C9CYP2C19ENPP3
SCHEMBL10250900 0.79 KCNH2 (0.78) KCNH2CYP3A4CYP2C9CYP2C19ENPP3
SCHEMBL509378 0.78 KCNH2 (0.62) KCNH2CYP3A4CYP2C9CYP2C19ENPP3
SCHEMBL14302751 0.77 KCNH2 (0.64) KCNH2CYP3A4CYP2C9CYP2C19PGR
SCHEMBL4715688 0.76 KCNH2 (0.42) KCNH2CYP3A4CYP2C9CYP2C19PIK3R1
SCHEMBL14303593 0.74 KCNH2 (0.59) KCNH2CYP3A4CYP2C9CYP2C19ENPP3
SCHEMBL4718375 0.73 KCNH2 (0.42) KCNH2CYP3A4CYP2C9CYP2C19PIK3R1

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 4 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
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-20050004129-A1 Pyrazole derivatives PFIZER, INC. 2005-01-06 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 (1 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-20050004129-A1 Pyrazole derivatives RTF1, RRM2B, RRM2 KCNH2 2921/4885CYP3A4 64/4885CSNK2A1 2526/4885

“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.