SCHEMBL982592

SCHEMBL982592

COc1ccc(OCC2CC2)c(-c2ncnc3c(C(=O)NC4CCN(C(=O)[C@H](C)O)CC4)c[nH]c23)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 1/20 0.38
KMT2A Q03164 4/20 0.37
HTR4 Q13639 2/20 0.36
HPGDS O60760 1/20 0.36
KDM5A P29375 1/20 0.35
MEN1 O00255 2/20 0.35
MCHR1 Q99705 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
MDM4 O15151 1/20 0.34

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
SCHEMBL985429 0.94 PAK1 (0.38) PAK1KMT2AHTR4HPGDSKDM5A
SCHEMBL983643 0.91 MDM4 (0.36) PAK1KMT2AKDM5AMEN1L3MBTL1
SCHEMBL984887 0.91 HPGDS (0.44) PAK1KMT2AHTR4HPGDSMEN1
SCHEMBL982027 0.91 BRD4 (0.37) PAK1KMT2AKDM5AMEN1
SCHEMBL983742 0.90 MCHR1 (0.35) PAK1KDM5AMCHR1L3MBTL1TSHR
SCHEMBL981821 0.90 TBK1 (0.41) PAK1KMT2AHTR4HPGDSMCHR1
SCHEMBL981830 0.90 MTNR1B (0.40) PAK1KMT2AHTR4HPGDSMCHR1
SCHEMBL984581 0.89 ALDH1A1 (0.44) KMT2AMEN1L3MBTL1TSHR
SCHEMBL983552 0.89 BTK (0.40) PAK1KMT2AHTR4HPGDSMCHR1
SCHEMBL985290 0.89 KDM5A (0.37) PAK1KMT2AKDM5AMDM4

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 PAK1 1999/4885KMT2A 2975/4885HTR4 1818/4885

“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.