SCHEMBL5227599

SCHEMBL5227599

CCc1nn(CCN)c(Cn2cccn2)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADCY10 Q96PN6 1/20 0.33
PDE4B Q07343 1/20 0.31
KCNH2 Q12809 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
KLKB1 P03952 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
MAPT P10636 2/20 0.30
GAA P10253 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
SCHEMBL509197 0.84 KCNH2 (0.37) KCNH2PTGDR2MAPT
SCHEMBL6626065 0.84 PDE4B (0.35) ADCY10PDE4BKCNH2PTGDR2KLKB1
SCHEMBL509399 0.84 MAPT (0.36) PDE4BPTGDR2KLKB1MAPT
SCHEMBL509118 0.81 MAPT (0.35) KCNH2PTGDR2MAPT
SCHEMBL5233666 0.81 PTGDR2 (0.33) PTGDR2KLKB1MAPT
SCHEMBL10285156 0.80 DRD2 (0.34) PTGDR2KLKB1MAPT
SCHEMBL509474 0.79 MAPT (0.34) KCNH2PTGDR2MAPT
SCHEMBL12132021 0.75 FAAH (0.35) KCNH2PTGDR2MAPT
SCHEMBL508284 0.75 LMNA (0.36) PTGDR2MAPT
SCHEMBL509302 0.75 PTGDR2 (0.38) KCNH2PTGDR2MAPT

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 ADCY10 4847/4885PDE4B 3638/4885KCNH2 3503/4885

“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.