SCHEMBL5228280

SCHEMBL5228280

COCCCNCc1[nH]nc(C)c1Oc1cc(Cl)cc(C#N)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.52
CYP3A4 P08684 4/20 0.40
SCN8A Q9UQD0 2/20 0.34
CYP2D6 P10635 3/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30
MAPK1 P28482 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
SCHEMBL5229447 0.85 KCNH2 (0.48) KCNH2CYP3A4SCN8ACYP2D6CYP2C9
SCHEMBL5229626 0.83 HTT (0.39) KCNH2KDM4EALDH1A1
SCHEMBL5226736 0.83 KCNH2 (0.50) KCNH2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL508578 0.82 KCNH2 (0.53) KCNH2CYP3A4SCN8ACYP2D6CYP2C9
SCHEMBL5228111 0.82 KCNH2 (0.53) KCNH2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5226919 0.82 KCNH2 (0.51) KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL508951 0.82 KCNH2 (0.51) KCNH2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5225028 0.82 KCNH2 (0.51) KCNH2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5228883 0.81 KCNH2 (0.53) KCNH2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL5228148 0.81 KCNH2 (0.53) KCNH2CYP3A4SCN8ACYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377556-B1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LTD (GB) 2007-04-04 EP claimed
EP-1762567-A1 Pyrazole derivatives for treating HIV Pfizer Limited (GB) 2007-03-14 EP claimed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US claimed

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-20030100554-A1 Pyrazole derivatives REV1, SARS1, CYP2F1 KCNH2 3503/4885CYP3A4 47/4885SCN8A 4350/4885

“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.