SCHEMBL981589

SCHEMBL981589

COCCNC(=O)[C@H]1CC[C@H](NC(=O)c2c[nH]c3c(-c4ccc(OC)cc4OCC4CC4)ncnc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.39
MTNR1B P49286 6/20 0.39
ALDH1A1 P00352 2/20 0.38
HTR4 Q13639 2/20 0.37
LMNA P02545 2/20 0.36
HPGDS O60760 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE4A P27815 2/20 0.34
PDE4B Q07343 2/20 0.34
PDE4C Q08493 2/20 0.34
PDE4D Q08499 2/20 0.34
AURKA O14965 1/20 0.34
MET P08581 1/20 0.34
KDR P35968 1/20 0.34
TEK Q02763 1/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 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
SCHEMBL983065 0.93 HTR4 (0.39) MTNR1AMTNR1BALDH1A1HTR4HPGDS
SCHEMBL984925 0.93 HTR4 (0.39) MTNR1AMTNR1BALDH1A1HTR4HPGDS
SCHEMBL984605 0.93 HTR4 (0.39) MTNR1AMTNR1BALDH1A1HTR4HPGDS
SCHEMBL982867 0.89 HTR4 (0.40) HTR4HPGDSKDM4EPDE4APDE4B
SCHEMBL984107 0.89 HTR4 (0.40) HTR4HPGDSKDM4EPDE4APDE4B
SCHEMBL984888 0.88 KDM4E (0.42) ALDH1A1HTR4HPGDSKDM4EHSD17B10
SCHEMBL983455 0.88 KDM4E (0.42) ALDH1A1HTR4HPGDSKDM4EHSD17B10
SCHEMBL982971 0.88 HTR4 (0.40) MTNR1AMTNR1BALDH1A1HTR4HPGDS
SCHEMBL983576 0.88 HTR4 (0.40) MTNR1AMTNR1BALDH1A1HTR4HPGDS
SCHEMBL981973 0.88 BTK (0.43) HTR4HPGDSKDM4EAURKAMET

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 MTNR1A 3028/4885MTNR1B 2849/4885ALDH1A1 924/4885

“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.