SCHEMBL5229626

SCHEMBL5229626

COCCNCc1[nH]nc(C)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
KCNH2 Q12809 1/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
P2RX7 Q99572 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.32
ALPL P05186 2/20 0.32
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
ENPP3 O14638 1/20 0.31
ENPP1 P22413 1/20 0.31
XIAP P98170 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PKM P14618 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
SCHEMBL5228280 0.83 KCNH2 (0.52) KCNH2KDM4EALDH1A1
SCHEMBL5224371 0.82 KCNH2 (0.44) KCNH2P2RX7ALPLENPP3ENPP1
SCHEMBL5228191 0.81 P2RX7 (0.41) KCNH2P2RX7
SCHEMBL508179 0.80 KCNH2 (0.42) KCNH2MEN1KMT2AP2RX7ALPL
SCHEMBL509432 0.80 BCHE (0.40) HTTL3MBTL1KDM4EALDH1A1
SCHEMBL5228520 0.80 ALDH1A1 (0.39) KCNH2MEN1KMT2AP2RX7ALPL
SCHEMBL509008 0.78 LMNA (0.38) KCNH2MEN1KMT2AP2RX7
SCHEMBL5231467 0.76 KCNH2 (0.43) KCNH2P2RX7ALPLENPP3ENPP1
SCHEMBL509451 0.75 CYP1A2 (0.45) HTTMEN1KMT2AALDH1A1
SCHEMBL508181 0.75 KCNH2 (0.47) HTTKCNH2P2RX7

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 HTT 4427/4885KCNH2 3503/4885MEN1 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.