SCHEMBL982325

SCHEMBL982325

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 1/20 0.38
PIK3CD O00329 4/20 0.35
PIK3CA P42336 3/20 0.35
USP30 Q70CQ3 1/20 0.34
KDM5A P29375 3/20 0.34
CCNT1 O60563 2/20 0.34
CDK9 P50750 2/20 0.34
MAP3K5 Q99683 2/20 0.34
MAP3K6 O95382 1/20 0.34
BTK Q06187 1/20 0.34
RBP4 P02753 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
LRRK2 Q5S007 2/20 0.33
WDR5 P61964 1/20 0.33
PIK3R1 P27986 1/20 0.33
RIPK1 Q13546 1/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL984720 0.97 MDM4 (0.38) MDM4PIK3CDPIK3CAUSP30KDM5A
SCHEMBL985168 0.96 POLB (0.37) MDM4PIK3CABTK
SCHEMBL982066 0.95 MDM4 (0.37) MDM4PIK3CDPIK3CAUSP30KDM5A
SCHEMBL984164 0.94 PIK3CD (0.41) MDM4PIK3CDPIK3CAUSP30KDM5A
SCHEMBL982596 0.93 MAP3K5 (0.36) MDM4CCNT1CDK9MAP3K5MAP3K6
SCHEMBL984909 0.93 MDM4 (0.39) MDM4PIK3CDPIK3CAUSP30KDM5A
SCHEMBL982545 0.92 MDM4 (0.37) MDM4PIK3CDPIK3CAUSP30KDM5A
SCHEMBL983541 0.92 PIK3CD (0.41) MDM4PIK3CDPIK3CAUSP30KDM5A
SCHEMBL985478 0.91 POLB (0.39) MDM4BTK
SCHEMBL984230 0.91 BTK (0.39) MDM4PIK3CDPIK3CAMAP3K5MAP3K6

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 2898/4885PIK3CD 806/4885PIK3CA 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.