SCHEMBL983553

SCHEMBL983553

CCC(=O)N1CCC[C@@H](NC(=O)c2c[nH]c3c(-c4cc(F)c(OC)cc4OCC4CC4)ncnc23)C1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.37
PIK3CA P42336 7/20 0.37
POLB P06746 1/20 0.36
MDM4 O15151 1/20 0.35
BRD4 O60885 1/20 0.35
EP300 Q09472 1/20 0.35
CREBBP Q92793 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
PIK3R1 P27986 2/20 0.35
HTR4 Q13639 1/20 0.34
SCN9A Q15858 1/20 0.34
MTOR P42345 1/20 0.34
BTK Q06187 1/20 0.33
JAK3 P52333 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
SCHEMBL984636 1.00 PIK3CD (0.37) PIK3CDPIK3CAPOLBMDM4BRD4
SCHEMBL985371 0.97 PIK3CD (0.37) PIK3CDPIK3CAPOLBMDM4BRD4
SCHEMBL983541 0.96 PIK3CD (0.41) PIK3CDPIK3CAMDM4PIK3CBPIK3CG
SCHEMBL981629 0.94 POLB (0.39) POLBMDM4SCN9ABTKJAK3
SCHEMBL984462 0.94 POLB (0.39) POLBMDM4SCN9ABTKJAK3
SCHEMBL984164 0.93 PIK3CD (0.41) PIK3CDPIK3CAMDM4PIK3CBPIK3CG
SCHEMBL984729 0.93 MDM4 (0.36) PIK3CAPOLBMDM4SCN9AMTOR
SCHEMBL984603 0.93 MDM4 (0.36) PIK3CAPOLBMDM4SCN9AMTOR
SCHEMBL985168 0.92 POLB (0.37) PIK3CAPOLBMDM4SCN9AMTOR
SCHEMBL981843 0.92 EPHX2 (0.38) PIK3CDPIK3CAMDM4PIK3CBPIK3CG

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 PIK3CD 806/4885PIK3CA 619/4885POLB 242/4885

“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.