SCHEMBL984025

SCHEMBL984025

COc1cc(OCC2CC2)c(-c2ncnc3c(C(=O)NC4CCN(C(=O)[C@H](C)O)CC4)c[nH]c23)cc1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.36
MAP3K5 Q99683 2/20 0.35
MAP3K6 O95382 1/20 0.35
DYRK1A Q13627 2/20 0.35
MDM4 O15151 1/20 0.35
KMT2A Q03164 2/20 0.35
IGF1R P08069 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
LRRK2 Q5S007 2/20 0.34
EPHX2 P34913 3/20 0.33
KDM5A P29375 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
SCHEMBL983715 0.97 MCHR1 (0.36) MCHR1MAP3K5MAP3K6DYRK1AMDM4
SCHEMBL981769 0.96 MDM4 (0.37) MCHR1MAP3K5MAP3K6DYRK1AMDM4
SCHEMBL981811 0.93 PDE4D (0.35) MCHR1MAP3K5MAP3K6DYRK1AEPHX2
SCHEMBL985321 0.93 MDM4 (0.37) MCHR1MAP3K5MAP3K6DYRK1AMDM4
SCHEMBL985153 0.92 MAP3K5 (0.34) MCHR1MAP3K5MAP3K6DYRK1AIGF1R
SCHEMBL984207 0.92 MDM4 (0.35) MCHR1MAP3K5MAP3K6DYRK1AMDM4
SCHEMBL984985 0.92 MDM4 (0.35) MCHR1MAP3K5MAP3K6DYRK1AMDM4
SCHEMBL982064 0.91 MAP3K5 (0.37) MCHR1MAP3K5MAP3K6DYRK1AMDM4
SCHEMBL981843 0.90 EPHX2 (0.38) MCHR1MAP3K5MAP3K6DYRK1AMDM4
SCHEMBL982596 0.90 MAP3K5 (0.36) MCHR1MAP3K5MAP3K6DYRK1AMDM4

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 MCHR1 4625/4885MAP3K5 1564/4885MAP3K6 2724/4885

“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.