SCHEMBL982565

SCHEMBL982565

COCCOc1cc(OC)ccc1-c1ncnc2c(C(=O)NC3CCN(C(=O)C4CC4)CC3)c[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.39
MTNR1B P49286 1/20 0.38
ERBB2 P04626 2/20 0.38
HTR4 Q13639 1/20 0.38
TSHR P16473 1/20 0.37
CD38 P28907 2/20 0.37
TLR9 Q9NR96 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
JAK3 P52333 2/20 0.36
PRKAB2 O43741 2/20 0.36
PRKAG1 P54619 2/20 0.36
PRKAA2 P54646 2/20 0.36
PRKAA1 Q13131 2/20 0.36
PRKAG3 Q9UGI9 2/20 0.36
PRKAG2 Q9UGJ0 2/20 0.36
PRKAB1 Q9Y478 2/20 0.36
JAK1 P23458 1/20 0.36
MCHR1 Q99705 2/20 0.36
PAK1 Q13153 1/20 0.36
GRIN1 Q05586 1/20 0.36

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
SCHEMBL984910 0.92 HPGDS (0.45) HPGDSHTR4TSHRCD38JAK3
SCHEMBL985879 0.92 MTNR1B (0.40) HPGDSMTNR1BHTR4TSHRTLR9
SCHEMBL981633 0.91 BTK (0.40) HPGDSHTR4TSHRCD38JAK3
SCHEMBL983576 0.89 HTR4 (0.40) HPGDSMTNR1BHTR4CD38GRIN1
SCHEMBL982971 0.89 HTR4 (0.40) HPGDSMTNR1BHTR4CD38GRIN1
SCHEMBL986466 0.89 HTR4 (0.36) HPGDSHTR4TSHRCD38JAK3
SCHEMBL981665 0.89 ALDH1A1 (0.42) TLR9TLR7
SCHEMBL981879 0.88 HTR4 (0.51) HPGDSHTR4CD38
SCHEMBL981844 0.88 HTR4 (0.41) HPGDSHTR4CD38GRIN1GRIN2B
SCHEMBL985809 0.88 HTR4 (0.41) HPGDSHTR4CD38GRIN1GRIN2B

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 HPGDS 651/4885MTNR1B 2849/4885ERBB2 3983/4885

“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.