SCHEMBL6047252

SCHEMBL6047252

COc1ccc(CNc2nc(C(C)=O)cc3nc(-c4ccco4)nn23)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.63
ADORA2A P29274 11/20 0.63
ADORA1 P30542 11/20 0.63
ADORA2B P29275 4/20 0.62
MAPT P10636 3/20 0.55
THRB P10828 2/20 0.50
KLKB1 P03952 1/20 0.49
POLB P06746 1/20 0.49
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
F2 P00734 1/20 0.46
F12 P00748 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6047198 0.91 ADORA3 (0.63) ADORA3ADORA2AADORA1ADORA2BMAPT
SCHEMBL6047248 0.91 ADORA3 (0.61) ADORA3ADORA2AADORA1ADORA2BMAPT
SCHEMBL6047346 0.86 ADORA3 (0.61) ADORA3ADORA2AADORA1ADORA2BMAPT
SCHEMBL6047265 0.86 ADORA2A (0.61) ADORA3ADORA2AADORA1ADORA2BMAPT
SCHEMBL6047269 0.85 ADORA2A (0.63) ADORA3ADORA2AADORA1ADORA2BMAPT
SCHEMBL6047307 0.85 ADORA2A (0.61) ADORA3ADORA2AADORA1ADORA2BMAPT
SCHEMBL6047191 0.85 ADORA3 (0.64) ADORA3ADORA2AADORA1ADORA2BMAPT
SCHEMBL6047170 0.85 ADORA3 (0.60) ADORA3ADORA2AADORA1ADORA2BMAPT
SCHEMBL6047345 0.84 ADORA2A (0.60) ADORA3ADORA2AADORA1ADORA2BMAPT
SCHEMBL6047324 0.84 ADORA2A (0.61) ADORA3ADORA2AADORA1ADORA2BMAPT

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-20060058320-A1 [1,2,4] Triazolo[1,5-c]pyrimidine derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-03-16 US disclosed
EP-1544200-A1 1,2,4 -TRIAZOLO 1,5-c PYRIMIDINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2005-06-22 EP 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-20060058320-A1 [1,2,4] Triazolo[1,5-c]pyrimidine derivatives ADORA2A, ADORA1, ADORA3 ADORA3 3/4885ADORA2A 1/4885ADORA1 2/4885

“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.