SCHEMBL4092422

SCHEMBL4092422

N#Cc1c[nH]c(-c2nc([C@H]3CCCN(C(=O)c4ccnc(F)c4)C3)no2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 6/20 0.41
PDE2A O00408 2/20 0.41
PDE3A Q14432 1/20 0.41
MAP3K12 Q12852 1/20 0.40
HSD11B1 P28845 1/20 0.40
USP30 Q70CQ3 6/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
RAB9A P51151 1/20 0.39
GRM5 P41594 1/20 0.38
CLPP Q16740 1/20 0.38

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
SCHEMBL4092434 1.00 PROKR1 (0.41) PROKR1PDE2APDE3AMAP3K12HSD11B1
SCHEMBL4100606 0.89 CYP11B1 (0.40) PDE2APDE3AHSD11B1CYP11B1CYP11B2
SCHEMBL4100600 0.89 CYP11B1 (0.40) PDE2APDE3AHSD11B1CYP11B1CYP11B2
SCHEMBL4090649 0.89 GRM5 (0.50) PDE2APDE3AHSD11B1RAB9AGRM5
SCHEMBL4090653 0.89 GRM5 (0.50) PDE2APDE3AHSD11B1RAB9AGRM5
SCHEMBL1969685 0.89 PROKR1 (0.45) PROKR1HSD11B1RAB9AGRM5CLPP
SCHEMBL1969678 0.89 PROKR1 (0.45) PROKR1HSD11B1RAB9AGRM5CLPP
SCHEMBL1972877 0.87 PROKR1 (0.46) PROKR1HSD11B1
SCHEMBL1973907 0.87 PROKR1 (0.47) PROKR1HSD11B1RAB9A
SCHEMBL1972874 0.87 PROKR1 (0.46) PROKR1HSD11B1

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-20090203737-A1 Pyrrole Derivatives as Positive Allosteric Modulators of Metabotropic Receptors ADDEX PHARMA SA (CH) 2009-08-13 US claimed
US-20090203737-A1 Pyrrole Derivatives as Positive Allosteric Modulators of Metabotropic Receptors ADDEX PHARMA SA (CH) 2009-08-13 US disclosed
US-20090203737-A1 Pyrrole Derivatives as Positive Allosteric Modulators of Metabotropic Receptors ADDEX PHARMA SA (CH) 2009-08-13 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-20090203737-A1 Pyrrole Derivatives as Positive Allosteric Modulators of Metabotropic Receptors GRM5, GRIK5, GRM2 PROKR1 1017/4885PDE2A 1038/4885PDE3A 1114/4885

“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.