SCHEMBL5651795

SCHEMBL5651795

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.40
ATM Q13315 1/20 0.35
PGR P06401 2/20 0.35
GRM2 Q14416 1/20 0.34
GRM5 P41594 2/20 0.33
LTA4H P09960 1/20 0.32
PTGS2 P35354 1/20 0.32
FFAR1 O14842 2/20 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
SCHEMBL5647263 0.87 KCNH2 (0.44) KCNH2GRM2GRM5LTA4HPTGS2
SCHEMBL5653700 0.86 KCNH2 (0.37) KCNH2GRM5LTA4HPTGS2
SCHEMBL14599402 0.78 KCNH2 (0.49) KCNH2PGR
Lersivirine SCHEMBL508446 0.78 KCNH2 (0.49) KCNH2PGR
Lersivirine SCHEMBL508854 0.76 PGR (0.40) KCNH2PGRPTGS2
SCHEMBL509168 0.75 KCNH2 (0.46) KCNH2PGR
Lersivirine SCHEMBL509058 0.74 KCNH2 (0.45) KCNH2PGR
SCHEMBL508735 0.74 KCNH2 (0.45) KCNH2PGR
SCHEMBL508393 0.73 KCNH2 (0.44) KCNH2PGR
Lersivirine SCHEMBL508803 0.73 KCNH2 (0.44) KCNH2PGR

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
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
US-20040110816-A1 Pyrazole derivatives PFIZER, INC. 2004-06-10 US 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 2890/4885ATM 4212/4885PGR 805/4885

“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.