SCHEMBL984654

SCHEMBL984654

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.37
NPY5R Q15761 1/20 0.35
MAP3K5 Q99683 3/20 0.35
MAP3K6 O95382 2/20 0.35
JAK1 P23458 2/20 0.33
JAK3 P52333 2/20 0.33
JAK2 O60674 1/20 0.33
TYK2 P29597 1/20 0.33
KDR P35968 1/20 0.33
AURKB Q96GD4 1/20 0.33
HSD17B10 Q99714 2/20 0.33
PIK3CD O00329 2/20 0.32
PIK3R1 P27986 1/20 0.32
PIK3CA P42336 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 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
SCHEMBL982137 0.93 MAP3K5 (0.34) MAP3K5MAP3K6JAK3
SCHEMBL985732 0.93 KDR (0.37) NPY5RMAP3K5MAP3K6JAK1JAK3
SCHEMBL981843 0.92 EPHX2 (0.38) EPHX2NPY5RMAP3K5MAP3K6PIK3CD
SCHEMBL984897 0.91 EPHX2 (0.38) EPHX2NPY5RMAP3K5MAP3K6PIK3CD
SCHEMBL985153 0.90 MAP3K5 (0.34) EPHX2MAP3K5MAP3K6JAK3
SCHEMBL984240 0.90 EPHX2 (0.40) EPHX2NPY5RJAK1HSD17B10MEN1
SCHEMBL985719 0.89 EPHX2 (0.40) EPHX2NPY5RHSD17B10MEN1KMT2A
SCHEMBL983541 0.88 PIK3CD (0.41) EPHX2MAP3K5MAP3K6PIK3CDPIK3R1
SCHEMBL984164 0.86 PIK3CD (0.41) EPHX2MAP3K5MAP3K6PIK3CDPIK3R1
Hydrochloric Acid SCHEMBL984192 0.86 PTK2 (0.35) MAP3K5MAP3K6KDR

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 594/4885NPY5R 289/4885MAP3K5 1564/4885

“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.