SCHEMBL985286

SCHEMBL985286

COc1ccc(OCC2CC2)c(-c2ncnc3c(C(=O)NC4CCN(C(=O)C5(O)CC5)CC4)c[nH]c23)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
HTR4 Q13639 2/20 0.36
PAK1 Q13153 1/20 0.36
HPGDS O60760 1/20 0.35
MDM4 O15151 1/20 0.35
MCHR1 Q99705 3/20 0.34
TSHR P16473 1/20 0.34
CRHR1 P34998 1/20 0.34
CRHR2 Q13324 1/20 0.34
TBK1 Q9UHD2 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33
PRKAA2 P54646 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
FASN P49327 1/20 0.33
MEN1 O00255 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
SCHEMBL981476 0.94 MDM4 (0.36) KMT2AHTR4PAK1HPGDSMDM4
SCHEMBL984520 0.91 MDM4 (0.37) KMT2APAK1MDM4JAK3MEN1
SCHEMBL984887 0.91 HPGDS (0.44) KMT2AHTR4PAK1HPGDSMDM4
SCHEMBL981903 0.90 HTR4 (0.38) KMT2AHTR4HPGDSMCHR1CRHR1
SCHEMBL984217 0.90 HTR4 (0.38) KMT2AHTR4HPGDSMCHR1CRHR1
SCHEMBL981830 0.89 MTNR1B (0.40) KMT2AHTR4PAK1HPGDSMCHR1
SCHEMBL981821 0.89 TBK1 (0.41) KMT2AHTR4PAK1HPGDSMDM4
SCHEMBL983552 0.89 BTK (0.40) KMT2AHTR4PAK1HPGDSMDM4
SCHEMBL984581 0.89 ALDH1A1 (0.44) KMT2ATSHRMEN1
SCHEMBL982310 0.88 MAP3K5 (0.37) KMT2AMDM4MCHR1JAK3MEN1

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

“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.