SCHEMBL982310

SCHEMBL982310

COc1cc(OCC2CC2)c(-c2ncnc3c(C(=O)NC4CCN(C(=O)C5(O)CC5)CC4)c[nH]c23)cc1F

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 5/20 0.37
MAP3K6 O95382 3/20 0.37
MDM4 O15151 1/20 0.36
MCHR1 Q99705 1/20 0.35
DYRK1A Q13627 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
LRRK2 Q5S007 2/20 0.34
JAK3 P52333 5/20 0.32
BTK Q06187 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
SCHEMBL982064 0.91 MAP3K5 (0.37) MAP3K5MAP3K6MDM4MCHR1DYRK1A
SCHEMBL985449 0.90 BTK (0.35) MAP3K5MAP3K6MDM4MCHR1DYRK1A
SCHEMBL981843 0.89 EPHX2 (0.38) MAP3K5MAP3K6MDM4MCHR1DYRK1A
SCHEMBL982596 0.89 MAP3K5 (0.36) MAP3K5MAP3K6MDM4MCHR1DYRK1A
SCHEMBL984895 0.89 BTK (0.39) MAP3K5MAP3K6MDM4MCHR1DYRK1A
SCHEMBL981476 0.88 MDM4 (0.36) MDM4MCHR1KMT2AJAK3
SCHEMBL985286 0.88 KMT2A (0.37) MDM4MCHR1KMT2AMEN1JAK3
SCHEMBL984025 0.88 MCHR1 (0.36) MAP3K5MAP3K6MDM4MCHR1DYRK1A
SCHEMBL981875 0.88 MDM4 (0.39) MAP3K5MAP3K6MDM4MCHR1DYRK1A
SCHEMBL984278 0.88 MAP3K5 (0.37) MAP3K5MAP3K6MDM4MCHR1DYRK1A

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 2724/4885MDM4 2898/4885

“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.