SCHEMBL984909

SCHEMBL984909

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 1/20 0.39
USP30 Q70CQ3 1/20 0.35
NTRK1 P04629 1/20 0.35
KDM5A P29375 3/20 0.35
MAP3K5 Q99683 2/20 0.35
MAP3K6 O95382 1/20 0.35
LRRK2 Q5S007 3/20 0.35
CNR2 P34972 1/20 0.34
OPRL1 P41146 1/20 0.33
WDR5 P61964 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
MCHR1 Q99705 1/20 0.33
CCNT1 O60563 1/20 0.33
CDK9 P50750 1/20 0.33
DYRK1A Q13627 1/20 0.33
SCN9A Q15858 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
SCHEMBL981875 0.97 MDM4 (0.39) MDM4USP30NTRK1KDM5AMAP3K5
SCHEMBL982924 0.96 MDM4 (0.36) MDM4LRRK2WDR5PIK3CACCNT1
SCHEMBL984278 0.96 MAP3K5 (0.37) MDM4MAP3K5MAP3K6LRRK2WDR5
SCHEMBL982325 0.93 MDM4 (0.38) MDM4USP30KDM5AMAP3K5MAP3K6
SCHEMBL984729 0.93 MDM4 (0.36) MDM4MAP3K5MAP3K6LRRK2PIK3CA
SCHEMBL984164 0.93 PIK3CD (0.41) MDM4USP30KDM5AMAP3K5MAP3K6
SCHEMBL984603 0.93 MDM4 (0.36) MDM4MAP3K5MAP3K6LRRK2PIK3CA
SCHEMBL982064 0.93 MAP3K5 (0.37) MDM4MAP3K5MAP3K6LRRK2MCHR1
SCHEMBL982066 0.92 MDM4 (0.37) MDM4USP30KDM5AMAP3K5MAP3K6
SCHEMBL985321 0.92 MDM4 (0.37) MDM4USP30KDM5AMAP3K5MAP3K6

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 2898/4885USP30 2837/4885NTRK1 3469/4885

“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.