SCHEMBL5227318

SCHEMBL5227318

Cc1cc(O)nc(NCc2[nH]nc(C)c2Oc2cc(Cl)cc(C#N)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.50
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP3A4 P08684 4/20 0.39
CYP2C9 P11712 3/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 2/20 0.32
MAPT P10636 2/20 0.32
CYP1A2 P05177 1/20 0.32
GRM5 P41594 1/20 0.31
PLK4 O00444 1/20 0.31
ALPL P05186 1/20 0.30
ALPG P10696 1/20 0.30
PLAA Q9Y263 1/20 0.30
KDM4E B2RXH2 1/20 0.30
PLA2G1B P04054 1/20 0.30
ATG4B Q9Y4P1 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
SCHEMBL5225492 0.81 KCNH2 (0.53) KCNH2LMNACYP3A4CYP2C9CYP2D6
SCHEMBL5229874 0.80 KCNH2 (0.53) KCNH2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL508578 0.79 KCNH2 (0.53) KCNH2LMNAHTTSMN1; SMN2CYP3A4
SCHEMBL5228111 0.79 KCNH2 (0.53) KCNH2LMNAHTTCYP3A4CYP2C9
SCHEMBL10250900 0.78 KCNH2 (0.78) KCNH2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL17226680 0.78 KCNH2 (0.48) KCNH2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL5228883 0.78 KCNH2 (0.53) KCNH2LMNAHTTSMN1; SMN2CYP3A4
SCHEMBL5228148 0.78 KCNH2 (0.53) KCNH2LMNAHTTSMN1; SMN2CYP3A4
SCHEMBL509378 0.77 KCNH2 (0.62) KCNH2CYP3A4CYP2C9CYP2D6CYP2C19
SCHEMBL5227097 0.77 KCNH2 (0.52) KCNH2LMNAHTTSMN1; SMN2CYP3A4

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 3503/4885LMNA 3857/4885HTT 4427/4885

“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.