SCHEMBL5227946

SCHEMBL5227946

COc1cccc(CNCc2[nH]nc(C)c2Oc2cc(Cl)cc(C#N)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.48
EGLN2 Q96KS0 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
SCN8A Q9UQD0 1/20 0.37
CHRM2 P08172 1/20 0.37
ANO1 Q5XXA6 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37

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
SCHEMBL5229265 0.92 KCNH2 (0.51) KCNH2EGLN2MEN1KMT2ACYP3A4
SCHEMBL5226919 0.90 KCNH2 (0.51) KCNH2CYP3A4HTTLMNAMAPT
SCHEMBL5228883 0.90 KCNH2 (0.53) KCNH2MEN1KMT2ACYP3A4SMN1; SMN2
SCHEMBL508578 0.87 KCNH2 (0.53) KCNH2CYP3A4SMN1; SMN2HTTLMNA
SCHEMBL5228111 0.87 KCNH2 (0.53) KCNH2CYP3A4HTTLMNAMAPT
SCHEMBL5226433 0.86 KCNH2 (0.51) KCNH2CYP3A4
SCHEMBL5228148 0.86 KCNH2 (0.53) KCNH2CYP3A4SMN1; SMN2HTTLMNA
SCHEMBL5226648 0.85 KCNH2 (0.48) KCNH2CYP3A4SMN1; SMN2HTTNPSR1
SCHEMBL5226693 0.85 KCNH2 (0.45) KCNH2CYP3A4
SCHEMBL5227097 0.85 KCNH2 (0.52) KCNH2MEN1KMT2ACYP3A4SMN1; 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 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 3503/4885EGLN2 4029/4885MEN1 4636/4885

“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.