SCHEMBL5647263

SCHEMBL5647263

CCc1nn(C)c(Oc2ccccn2)c1Oc1cc(C#N)cc(C#N)c1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.44
GRM5 P41594 3/20 0.36
PTGS2 P35354 2/20 0.34
LTA4H P09960 1/20 0.34
GRM2 Q14416 1/20 0.34
FFAR1 O14842 1/20 0.31

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
SCHEMBL5651795 0.87 KCNH2 (0.40) KCNH2GRM5PTGS2LTA4HGRM2
SCHEMBL5653700 0.82 KCNH2 (0.37) KCNH2GRM5PTGS2LTA4H
SCHEMBL1347174 0.75 KCNH2 (0.54) KCNH2
SCHEMBL14540425 0.74 KCNH2 (0.50) KCNH2
SCHEMBL509344 0.69 KCNH2 (0.41) KCNH2
SCHEMBL2716851 0.66 KCNH2 (0.49) KCNH2
SCHEMBL14599402 0.66 KCNH2 (0.49) KCNH2
Lersivirine SCHEMBL508446 0.66 KCNH2 (0.49) KCNH2
SCHEMBL5224343 0.66 KCNH2 (0.49) KCNH2
SCHEMBL10254059 0.66 KCNH2 (0.44) KCNH2

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
US-7230025-B2 Pyrazole derivatives PFIZER, INC. (US) 2007-06-12 US disclosed
US-7230025-B2 Pyrazole derivatives PFIZER, INC. (US) 2007-06-12 US disclosed
EP-1546132-A1 PYRAZOLE DERIVATIVES AS REVERSE TRANSCRIPTASE INHIBITORS Pfizer Limited (GB) 2005-06-29 EP disclosed
US-20040110816-A1 Pyrazole derivatives PFIZER, INC. 2004-06-10 US disclosed
WO-2004029042-A1 PYRAZOLE DERIVATIVES AS REVERSE TRANSCRIPTASE INHIBITORS PFIZER LIMITED (GB) 2004-04-08 WO disclosed

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-20040110816-A1 Pyrazole derivatives REV1, POLR2E, SARS1 KCNH2 2890/4885GRM5 2749/4885PTGS2 3611/4885

“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.