SCHEMBL5584758

SCHEMBL5584758

CCCn1c(=O)[nH]c(N)c(NC(=O)c2cnn(C)c2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
ADORA2B P29275 3/20 0.38
ADORA2A P29274 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
KDM1A O60341 2/20 0.37
RCOR1 Q9UKL0 2/20 0.37
GRN P28799 1/20 0.37
SORT1 Q99523 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DHX9 Q08211 1/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL1723697 0.84 ADORA2B (0.52) ALDH1A1ADORA2BADORA2AADORA3
SCHEMBL8979404 0.80 ADORA2B (0.49) ALDH1A1ADORA2BADORA2AADORA3KMT2A
SCHEMBL1724767 0.80 KMT2A (0.44) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL1546641 0.80 ADORA2B (0.56) ADORA2BADORA2AADORA3
SCHEMBL30495481 0.78 ADORA2B (0.58) ADORA2BADORA2AADORA3
SCHEMBL1546781 0.78 KLKB1 (0.52) ADORA2BADORA2AADORA3
SCHEMBL1546784 0.78 ADORA2B (0.41) ADORA2BADORA2AADORA3
SCHEMBL796431 0.78 ADORA2B (0.58) ADORA2BADORA2AADORA3
SCHEMBL5541331 0.76 ADORA2B (0.45) ADORA2BADORA2AADORA3
SCHEMBL1724547 0.74 ADORA2B (0.57) ADORA2BADORA2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150087643-A1 Substituted Fused Pyrimidine Compounds ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2015-03-26 US disclosed
US-8859566-B2 Substituted fused pyrimidine compounds ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2014-10-14 US disclosed
EP-2405917-B1 SUBSTITUTED FUSED PYRIMIDINE COMPOUNDS ADVINUS THERAPEUTICS PRIVATE LTD (IN) 2014-04-23 EP disclosed
US-20120115864-A1 Substituted Fused Pyrimidine Compounds ADVINUS THERAPEUTICS LIMITED (IN) 2012-05-10 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 (2 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-20120115864-A1 Substituted Fused Pyrimidine Compounds ADORA2A, ADORA1, ADORA3 ROCK1 1213/4885ALDH1A1 990/4885LMNA 3615/4885
US-20150087643-A1 Substituted Fused Pyrimidine Compounds ADORA2A, ADORA1, ADORA3 ROCK1 1209/4885ALDH1A1 1002/4885LMNA 3608/4885

“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.