SCHEMBL5226676

SCHEMBL5226676

Cc1n[nH]c(CNCc2ccc(C(N)=O)cc2)c1Oc1cccc(C#N)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 10/20 0.47
SYK P43405 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
OPRK1 P41145 2/20 0.38
PARP15 Q460N3 2/20 0.37
PARP10 Q53GL7 2/20 0.37
PARP2 Q9UGN5 2/20 0.37
TNKS O95271 1/20 0.37
PARP14 Q460N5 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
PRSS1 P07477 1/20 0.36
ACR P10323 1/20 0.36
EGLN1 Q9GZT9 1/20 0.35

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
SCHEMBL5229379 0.92 KCNH2 (0.43) VNN1OPRM1OPRD1OPRK1PARP15
SCHEMBL5229495 0.89 KCNH2 (0.47) VNN1OPRM1OPRD1OPRK1PARP15
SCHEMBL509089 0.88 KCNH2 (0.47) VNN1OPRM1OPRD1OPRK1PARP15
SCHEMBL5228154 0.88 CYP3A4 (0.40) VNN1OPRM1OPRD1OPRK1PARP15
SCHEMBL5226693 0.82 KCNH2 (0.45) VNN1
SCHEMBL509760 0.82 CYP3A4 (0.39) VNN1OPRM1OPRD1OPRK1
SCHEMBL509241 0.77 KCNH2 (0.45)
SCHEMBL5228111 0.75 KCNH2 (0.53) VNN1
SCHEMBL508578 0.75 KCNH2 (0.53) SMN1; SMN2
SCHEMBL508181 0.75 KCNH2 (0.47) SMN1; 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 5 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
EP-1377556-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV Pfizer Limited (GB) 2004-01-07 EP claimed
US-20030100554-A1 Pyrazole derivatives JONES LYN HOWARD (GB) 2003-05-29 US claimed
WO-2002085860-A1 PYRAZOLE DERIVATIVES FOR TREATING HIV PFIZER LIMITED (GB) 2002-10-31 WO 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 VNN1 2419/4885SYK 3673/4885SMN1; SMN2 2943/4885

“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.