SCHEMBL4772293

SCHEMBL4772293

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

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.53
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
RORC P51449 1/20 0.34
THRA P10827 4/20 0.34
THRB P10828 4/20 0.34
PPARG P37231 2/20 0.34
ITGB3 P05106 1/20 0.34
ITGAV P06756 1/20 0.34
RXRA P19793 1/20 0.34
PKM P14618 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
HAO1 Q9UJM8 2/20 0.33
PGR P06401 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL4766433 0.82 KCNH2 (0.58) KCNH2CYP3A4CYP2C9CYP2C19PGR
SCHEMBL4715258 0.82 KCNH2 (0.58) KCNH2CYP3A4CYP2C9CYP2C19PGR
SCHEMBL508731 0.81 P2RX7 (0.41) KCNH2THRATHRBPPARGITGB3
SCHEMBL4718347 0.77 KCNH2 (0.54) KCNH2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL4766432 0.76 MEN1 (0.45) SMN1; SMN2
SCHEMBL10250900 0.75 KCNH2 (0.78) KCNH2CYP3A4CYP2C9CYP2C19PGR
SCHEMBL5229379 0.74 KCNH2 (0.43) KCNH2CYP2C9
SCHEMBL509378 0.74 KCNH2 (0.62) KCNH2CYP3A4CYP2C9CYP2C19
SCHEMBL5226802 0.74 KCNH2 (0.50) KCNH2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL14302751 0.73 KCNH2 (0.64) KCNH2CYP3A4CYP2C9CYP2C19MAPK1

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 6 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
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-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 64/4885CYP2C9 332/4885

“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.