SCHEMBL984254

SCHEMBL984254

COc1cc(-c2ncnc3c(C(=O)N[C@@H]4CCCN(C(=O)[C@H](C)O)C4)c[nH]c23)c(OCC2CC2)cc1F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.35
MDM4 O15151 1/20 0.35
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
KDM5A P29375 2/20 0.33
MCHR1 Q99705 1/20 0.32
GUCY1B2 O75343 1/20 0.32
GUCY1A2 P33402 1/20 0.32
GUCY1A1 Q02108 1/20 0.32
GUCY1B1 Q02153 1/20 0.32
POLB P06746 1/20 0.32
JAK3 P52333 1/20 0.32
BTK Q06187 1/20 0.32
LRRK2 Q5S007 2/20 0.32
DYRK1A Q13627 1/20 0.32
WDR5 P61964 1/20 0.32
PDPK1 O15530 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
SCHEMBL984985 0.97 MDM4 (0.35) SCN9AMDM4PIK3CAMTORKDM5A
SCHEMBL984207 0.97 MDM4 (0.35) SCN9AMDM4PIK3CAMTORKDM5A
SCHEMBL985321 0.96 MDM4 (0.37) MDM4PIK3CAKDM5AMCHR1LRRK2
SCHEMBL981769 0.93 MDM4 (0.37) MDM4PIK3CAKDM5AMCHR1LRRK2
SCHEMBL982924 0.92 MDM4 (0.36) SCN9AMDM4PIK3CAMTORPOLB
SCHEMBL983715 0.92 MCHR1 (0.36) MDM4MCHR1LRRK2DYRK1AWDR5
SCHEMBL985168 0.91 POLB (0.37) SCN9AMDM4PIK3CAMTORPOLB
SCHEMBL985371 0.91 PIK3CD (0.37) SCN9AMDM4PIK3CAMTORPOLB
SCHEMBL985478 0.90 POLB (0.39) SCN9AMDM4POLBJAK3BTK
SCHEMBL984729 0.89 MDM4 (0.36) SCN9AMDM4PIK3CAMTORPOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 US claimed
US-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES NYCOMED GMBH (DE) 2011-01-27 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-20110021479-A1 PYRROLOPYRIMIDINECARBOXAMIDES PDE5A, PDE3A, PDE2A SCN9A 893/4885MDM4 2898/4885PIK3CA 619/4885

“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.