SCHEMBL5653498

SCHEMBL5653498

Nc1nc(NCC2CCCN2)c(-c2ccco2)c2ncnn12

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 3/20 0.37
▸ ADORA2A P29274 3/20 0.35
▸ SYK P43405 2/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ MAPK3 P27361 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ ADORA3 P0DMS8 3/20 0.34
▸ ADORA1 P30542 2/20 0.34
▸ ADORA2B P29275 1/20 0.34
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CCNA1 P78396 1/20 0.34
▸ PRKCI P41743 2/20 0.33
▸ IKBKB O14920 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
SCHEMBL6009722 0.86 MBOAT4 (0.38) IRAK4ADORA2ASYKKCNH2MAPK3
SCHEMBL5410869 0.72 ADORA2A (0.62) ADORA2AMAPK1ADORA3ADORA1ADORA2B
SCHEMBL5651588 0.72 ADORA2A (0.56) ADORA2AADORA1
SCHEMBL5407687 0.72 ADORA2A (0.42) ADORA2A
SCHEMBL5653328 0.71 ADORA2A (0.46) ADORA2AMAPK1ADORA3ADORA1ADORA2B
SCHEMBL5095982 0.68 ADORA2A (0.47) ADORA2A
SCHEMBL23998430 0.62 IRAK4 (0.39) IRAK4ADORA2AADORA3ADORA1ADORA2B
SCHEMBL23998433 0.62 IRAK4 (0.39) IRAK4ADORA2AADORA3ADORA1ADORA2B
Hydrochloric Acid SCHEMBL30250964 0.62 IRAK4 (0.38) IRAK4ADORA2AADORA3ADORA1ADORA2B
SCHEMBL15575979 0.61 IDO1 (0.43) IRAK4SYKKCNH2MAPK3MAPK1

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-20070010522-A1 Triazolo[1,5-c]pyrimidines and pyrazolo[1,5-c]pyrimidines useful as a2a adenosine receptor antagonists BIOGEN IDEC MA INC. 2007-01-11 — — US disclosed
EP-1618109-A2 TRIAZOLO[1,5-C]PYRIMIDINES AND PYRAZOLO[1,5-C]PYRIMIDINES USEFUL AS A2A ADENOSINE RECEPTOR ANTAGONISTS Biogen Idec MA Inc. (US) 2006-01-25 — — EP disclosed
WO-2004092172-A2 TRIAZOLO[1,5-C]PYRIMIDINES AND PYRAZOLO[1,5-C]PYRIMIDINES USEFUL AS A2A ADENOSIN E RECEPTOR ANTAGONISTS BIOGEN IDEC MA INC. (US) 2004-10-28 — — WO 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-20070010522-A1 Triazolo[1,5-c]pyrimidines and pyrazolo[1,5-c]pyrimidines useful as a2a adenosine receptor antagonists ADORA2A, ADORA3, ADORA1 IRAK4 1631/4885ADORA2A 1/4885SYK 2993/4885

“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.

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