SCHEMBL5228035

SCHEMBL5228035

CCc1nn(CCN)c(CNCc2ccc(C#N)cc2)c1Oc1cc(Cl)cc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.41
CACNA1B Q00975 1/20 0.41
PGR P06401 5/20 0.40
KCNH2 Q12809 3/20 0.40
GHSR Q92847 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
CNR1 P21554 2/20 0.32
PDE5A O76074 1/20 0.32
CYP3A4 P08684 2/20 0.31
SCN8A Q9UQD0 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 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
SCHEMBL5228699 0.88 POLB (0.36) PTGDR2CNR1
SCHEMBL509028 0.86 PTGDR2 (0.38) CACNA1GCACNA1BPGRKCNH2PTGDR2
SCHEMBL10285742 0.83 CACNA1G (0.35) CACNA1GCACNA1BKCNH2PTGDR2
SCHEMBL5224713 0.83 PTGDR2 (0.35) CACNA1GCACNA1BPGRKCNH2PTGDR2
SCHEMBL2718123 0.81 KCNH2 (0.54) PGRKCNH2PTGDR2CYP3A4
SCHEMBL509197 0.79 KCNH2 (0.37) PGRKCNH2PTGDR2
SCHEMBL1347443 0.76 CACNA1G (0.39) CACNA1GCACNA1BPGRKCNH2CNR1
SCHEMBL509369 0.76 LTA4H (0.33) PTGDR2CNR1CYP3A4
SCHEMBL2716851 0.76 KCNH2 (0.49) PGRKCNH2CYP3A4
SCHEMBL509118 0.76 MAPT (0.35) KCNH2PTGDR2

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 CACNA1G 2887/4885CACNA1B 3933/4885PGR 1045/4885

“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.