SCHEMBL984897

SCHEMBL984897

CCC(=O)N1CCC(NC(=O)c2c[nH]c3c(-c4cc(OC)c(F)cc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.38
PIK3CD O00329 5/20 0.38
PIK3CA P42336 2/20 0.38
MAP3K5 Q99683 2/20 0.36
MAP3K6 O95382 1/20 0.36
MDM4 O15151 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
NPY5R Q15761 1/20 0.35
PIK3R1 P27986 1/20 0.35
LRRK2 Q5S007 1/20 0.35
DYRK1A Q13627 1/20 0.35
MCHR1 Q99705 1/20 0.34

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
SCHEMBL981843 0.97 EPHX2 (0.38) EPHX2PIK3CDPIK3CAMAP3K5MAP3K6
SCHEMBL984164 0.96 PIK3CD (0.41) EPHX2PIK3CDPIK3CAMAP3K5MAP3K6
SCHEMBL984230 0.94 BTK (0.39) PIK3CDPIK3CAMAP3K5MAP3K6MDM4
SCHEMBL983541 0.93 PIK3CD (0.41) EPHX2PIK3CDPIK3CAMAP3K5MAP3K6
SCHEMBL984278 0.93 MAP3K5 (0.37) MAP3K5MAP3K6MDM4KDM4EMEN1
SCHEMBL985371 0.92 PIK3CD (0.37) PIK3CDPIK3CAMDM4PIK3CBPIK3CG
SCHEMBL982596 0.91 MAP3K5 (0.36) MAP3K5MAP3K6MDM4KDM4EMEN1
SCHEMBL984895 0.91 BTK (0.39) PIK3CDPIK3CAMAP3K5MAP3K6MDM4
SCHEMBL984654 0.91 EPHX2 (0.37) EPHX2PIK3CDPIK3CAMAP3K5MAP3K6
SCHEMBL982325 0.90 MDM4 (0.38) PIK3CDPIK3CAMAP3K5MAP3K6MDM4

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 EPHX2 594/4885PIK3CD 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.