SCHEMBL984603

SCHEMBL984603

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 1/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
SCN9A Q15858 1/20 0.35
JAK3 P52333 4/20 0.34
JAK2 O60674 2/20 0.34
LRRK2 Q5S007 2/20 0.34
POLB P06746 1/20 0.34
PFKFB3 Q16875 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
BTK Q06187 2/20 0.33
MAP3K6 O95382 1/20 0.33
MAP3K5 Q99683 1/20 0.33

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
SCHEMBL984729 1.00 MDM4 (0.36) MDM4CCNT1CDK9SCN9AJAK3
SCHEMBL982924 0.97 MDM4 (0.36) MDM4CCNT1CDK9SCN9AJAK3
SCHEMBL981875 0.96 MDM4 (0.39) MDM4CCNT1CDK9LRRK2PIK3CA
SCHEMBL984636 0.93 PIK3CD (0.37) MDM4SCN9AJAK3POLBPIK3CA
SCHEMBL983553 0.93 PIK3CD (0.37) MDM4SCN9AJAK3POLBPIK3CA
SCHEMBL984909 0.93 MDM4 (0.39) MDM4CCNT1CDK9SCN9ALRRK2
SCHEMBL981629 0.92 POLB (0.39) MDM4SCN9AJAK3POLBBTK
SCHEMBL984462 0.92 POLB (0.39) MDM4SCN9AJAK3POLBBTK
SCHEMBL984207 0.92 MDM4 (0.35) MDM4SCN9AJAK3LRRK2POLB
SCHEMBL984985 0.92 MDM4 (0.35) MDM4SCN9AJAK3LRRK2POLB

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 MDM4 2898/4885CCNT1 807/4885CDK9 639/4885

“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.