SCHEMBL985429

SCHEMBL985429

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PAK1 Q13153 1/20 0.38
HTR4 Q13639 2/20 0.36
TSHR P16473 1/20 0.36
HPGDS O60760 1/20 0.36
KDM5A P29375 1/20 0.35
MDM4 O15151 1/20 0.35
MAPT P10636 1/20 0.34
MCHR1 Q99705 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
IDH1 O75874 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
SCHEMBL982592 0.94 PAK1 (0.38) PAK1HTR4TSHRHPGDSKDM5A
SCHEMBL984587 0.91 HPGDS (0.44) PAK1HTR4TSHRHPGDSMDM4
SCHEMBL984353 0.90 TBK1 (0.41) PAK1HTR4TSHRHPGDSMDM4
SCHEMBL985879 0.90 MTNR1B (0.40) PAK1HTR4TSHRHPGDSMDM4
SCHEMBL985750 0.90 BTK (0.39) HTR4HPGDS
SCHEMBL984517 0.90 BTK (0.39) HTR4HPGDS
SCHEMBL983581 0.89 BTK (0.40) PAK1HTR4TSHRHPGDSMDM4
SCHEMBL983426 0.89 ALDH1A1 (0.44) MAPTMEN1KMT2A
SCHEMBL985290 0.89 KDM5A (0.37) PAK1KDM5AMDM4KMT2A
SCHEMBL981476 0.88 MDM4 (0.36) PAK1HTR4TSHRHPGDSMDM4

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 1999/4885HTR4 1818/4885TSHR 3033/4885

“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.