SCHEMBL985153

SCHEMBL985153

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

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 4/20 0.34
MAP3K6 O95382 3/20 0.34
KDM5A P29375 1/20 0.32
EPHX2 P34913 3/20 0.32
DYRK1A Q13627 1/20 0.32
MCHR1 Q99705 1/20 0.31
CD38 P28907 1/20 0.31
JAK3 P52333 3/20 0.31
TBK1 Q9UHD2 1/20 0.31
IGF1R P08069 1/20 0.31

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
SCHEMBL984025 0.92 MCHR1 (0.36) MAP3K5MAP3K6KDM5AEPHX2DYRK1A
SCHEMBL985732 0.91 KDR (0.37) MAP3K5MAP3K6CD38JAK3
SCHEMBL981811 0.91 PDE4D (0.35) MAP3K5MAP3K6KDM5AEPHX2DYRK1A
SCHEMBL983715 0.91 MCHR1 (0.36) MAP3K5MAP3K6EPHX2DYRK1AMCHR1
SCHEMBL984654 0.90 EPHX2 (0.37) MAP3K5MAP3K6EPHX2JAK3
SCHEMBL982027 0.89 BRD4 (0.37) MAP3K5MAP3K6KDM5AEPHX2
SCHEMBL982137 0.89 MAP3K5 (0.34) MAP3K5MAP3K6JAK3TBK1
SCHEMBL981769 0.88 MDM4 (0.37) MAP3K5MAP3K6KDM5ADYRK1AMCHR1
SCHEMBL984680 0.87 MAP3K6 (0.34) MAP3K5MAP3K6CD38JAK3TBK1
SCHEMBL983643 0.87 MDM4 (0.36) MAP3K5MAP3K6KDM5ATBK1

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 MAP3K5 1564/4885MAP3K6 2724/4885KDM5A 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.