SCHEMBL5227947

SCHEMBL5227947

CCc1nn(CCO)c(CC)c1Oc1cc(C#N)cc(-n2ccnn2)c1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PGR P06401 8/20 0.40
KCNH2 Q12809 3/20 0.37
CYP19A1 P11511 1/20 0.35
NOTUM Q6P988 1/20 0.32

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
Lersivirine SCHEMBL508446 0.85 KCNH2 (0.49) PGRKCNH2
SCHEMBL5224518 0.85 PGR (0.41) PGRKCNH2
SCHEMBL508303 0.83 PGR (0.40) PGRKCNH2CYP19A1
SCHEMBL5227620 0.82 PGR (0.41) PGRKCNH2
SCHEMBL508393 0.82 KCNH2 (0.44) PGRKCNH2
SCHEMBL2717137 0.81 KCNH2 (0.53) PGRKCNH2
Lersivirine SCHEMBL509058 0.80 KCNH2 (0.45) PGRKCNH2
SCHEMBL2716684 0.80 KCNH2 (0.54) PGRKCNH2
SCHEMBL2717095 0.80 KCNH2 (0.42) PGRKCNH2
Lersivirine SCHEMBL508803 0.79 KCNH2 (0.44) PGRKCNH2

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 PGR 1045/4885KCNH2 3503/4885CYP19A1 714/4885

“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.