SCHEMBL5225976

SCHEMBL5225976

Cc1n[nH]c(CNCc2ccccn2)c1Oc1cc(Cl)cc(C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.49
CYP3A4 P08684 3/20 0.40
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PDE5A O76074 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2D6 P10635 1/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 1/20 0.36
TP53 P04637 1/20 0.36
SCN8A Q9UQD0 1/20 0.35
MEN1 O00255 1/20 0.35
SMARCA2 P51531 1/20 0.35
CYP2C19 P33261 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL5227792 0.88 KCNH2 (0.50) KCNH2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL5228883 0.87 KCNH2 (0.53) KCNH2CYP3A4KMT2ACYP2C9CYP2D6
SCHEMBL508951 0.85 KCNH2 (0.51) KCNH2CYP3A4KMT2ACYP2C9CYP2D6
SCHEMBL5227097 0.84 KCNH2 (0.52) KCNH2CYP3A4CYP11B1PDE5AKMT2A
SCHEMBL509107 0.84 KCNH2 (0.44) KCNH2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL508578 0.84 KCNH2 (0.53) KCNH2CYP3A4PDE5ACYP2C9CYP2D6
SCHEMBL5228111 0.84 KCNH2 (0.53) KCNH2CYP3A4PDE5ACYP2C9CYP2D6
SCHEMBL5229265 0.83 KCNH2 (0.51) KCNH2CYP3A4KMT2ACYP2C9CYP2D6
SCHEMBL5228148 0.83 KCNH2 (0.53) KCNH2CYP3A4PDE5ACYP2C9CYP2D6
SCHEMBL5226648 0.83 KCNH2 (0.48) KCNH2CYP3A4CYP11B1PDE5ACYP2D6

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 47/4885CYP11B1 158/4885

“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.