SCHEMBL981807

SCHEMBL981807

CC(=O)N1CCC(NC(=O)c2c[nH]c3c(-c4cc(C)ccc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 1/20 0.38
KDM2B Q8NHM5 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
BTK Q06187 1/20 0.36
CD38 P28907 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
MAP3K6 O95382 3/20 0.35
MAP3K5 Q99683 3/20 0.35
PAK1 Q13153 2/20 0.35
HPGDS O60760 1/20 0.35
JAK2 O60674 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
JAK3 P52333 2/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CTDSP1 Q9GZU7 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
SCHEMBL984309 0.92 ALDH1A1 (0.43) MEN1ALDH1A1KMT2AL3MBTL1LMNA
SCHEMBL981263 0.92 MDM4 (0.37) MDM4KDM2BKDM4CBTKMAP3K6
SCHEMBL981754 0.92 MCHR1 (0.37) BTKCD38IRAK4PAK1HPGDS
SCHEMBL982969 0.92 BRD4 (0.39) CD38IRAK4MEN1KMT2AHSD17B10
SCHEMBL983643 0.91 MDM4 (0.36) MDM4KDM2BKDM4CMAP3K6MAP3K5
SCHEMBL985561 0.91 BTK (0.42) MDM4KDM2BKDM4CBTKCD38
SCHEMBL984887 0.91 HPGDS (0.44) MDM4CD38IRAK4PAK1HPGDS
SCHEMBL984745 0.90 BTK (0.39) MDM4KDM2BKDM4CBTKLMNA
SCHEMBL984520 0.90 MDM4 (0.37) MDM4KDM2BKDM4CBTKMAP3K6
SCHEMBL985264 0.90 MAPT (0.43) BTKMEN1ALDH1A1KMT2AL3MBTL1

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 MDM4 2898/4885KDM2B 831/4885KDM4C 599/4885

“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.