SCHEMBL3085343

SCHEMBL3085343

O=C(CCl)Nc1cc(Cl)nc(-n2cccn2)n1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.51
ADORA1 P30542 9/20 0.51
ALDH1A1 P00352 5/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 2/20 0.37
EGFR P00533 1/20 0.37
BRD4 O60885 1/20 0.36
ADORA3 P0DMS8 2/20 0.36
ADORA2B P29275 2/20 0.36
GLS O94925 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
AGTR1 P30556 1/20 0.35
KDM6B O15054 1/20 0.35

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
SCHEMBL1490109 0.87 ADORA2A (0.65) ADORA2AADORA1ALDH1A1LMNAKDM4E
SCHEMBL3093468 0.85 ADORA2A (0.50) ADORA2AADORA1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL3090981 0.84 ADORA2A (0.49) ADORA2AADORA1HTTADORA3ADORA2B
SCHEMBL3096918 0.81 ADORA2A (0.79) ADORA2AADORA1ALDH1A1KDM4EADORA3
SCHEMBL1489574 0.80 ADORA2A (0.51) ADORA2AADORA1ALDH1A1LMNAKDM4E
SCHEMBL21144033 0.75 ADORA2A (0.54) ADORA2AADORA1ALDH1A1LMNAKDM4E
SCHEMBL3088130 0.72 HTT (0.57) ADORA2AADORA1ALDH1A1LMNAHTT
SCHEMBL1490035 0.70 ADORA2A (0.70) ADORA2AADORA1KDM4EADORA3ADORA2B
SCHEMBL1489916 0.69 ADORA2A (0.77) ADORA2AADORA1ALDH1A1LMNAKDM4E
SCHEMBL1490215 0.69 ADORA2A (0.72) ADORA2AADORA1ADORA3ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234341-A1 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2010-09-16 US disclosed
US-20100234341-A1 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2010-09-16 US disclosed
US-20100234341-A1 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ALMIRALL, S.A. (ES) 2010-09-16 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-20100234341-A1 SUBSTITUTED PYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA3, ADORA1, ADORA2A ADORA2A 3/4885ADORA1 2/4885ALDH1A1 360/4885

“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.