SCHEMBL982066

SCHEMBL982066

COCC(=O)N1CC[C@@H](NC(=O)c2c[nH]c3c(-c4cc(OC)c(F)cc4OCC4CC4)ncnc23)C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 1/20 0.37
BTK Q06187 2/20 0.37
KDM5A P29375 6/20 0.35
PIK3CD O00329 2/20 0.35
PIK3CA P42336 2/20 0.35
USP30 Q70CQ3 1/20 0.34
MAP3K6 O95382 1/20 0.34
MAP3K5 Q99683 1/20 0.34
POLB P06746 1/20 0.33
DYRK1A Q13627 1/20 0.33
RBP4 P02753 1/20 0.33
KAT6A Q92794 1/20 0.33
KAT5 Q92993 1/20 0.33
KAT8 Q9H7Z6 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
LRRK2 Q5S007 2/20 0.32
WDR5 P61964 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
SCHEMBL982545 0.97 MDM4 (0.37) MDM4BTKKDM5APIK3CDPIK3CA
SCHEMBL985478 0.96 POLB (0.39) MDM4BTKPOLBKAT6AKAT5
SCHEMBL984230 0.96 BTK (0.39) MDM4BTKPIK3CDPIK3CAMAP3K6
SCHEMBL982325 0.95 MDM4 (0.38) MDM4BTKKDM5APIK3CDPIK3CA
SCHEMBL984164 0.94 PIK3CD (0.41) MDM4KDM5APIK3CDPIK3CAUSP30
SCHEMBL981629 0.93 POLB (0.39) MDM4BTKPOLBKAT6AKAT5
SCHEMBL984462 0.93 POLB (0.39) MDM4BTKPOLBKAT6AKAT5
SCHEMBL984895 0.93 BTK (0.39) MDM4BTKPIK3CDPIK3CAMAP3K6
SCHEMBL984720 0.92 MDM4 (0.38) MDM4BTKKDM5APIK3CDPIK3CA
SCHEMBL984909 0.92 MDM4 (0.39) MDM4KDM5APIK3CDPIK3CAUSP30

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 2898/4885BTK 1977/4885KDM5A 263/4885

“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.