SCHEMBL6633150

SCHEMBL6633150

Nc1ncc(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)c2nc(-c3ccco3)nn12

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.60
ADRA2A P08913 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
ADORA1 P30542 1/20 0.47

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
SCHEMBL6635763 0.91 DHFR (0.58) ADORA2AADRA2AADRA2BADRA2C
SCHEMBL6632402 0.90 ADORA2A (0.63) ADORA2AADRA2AADRA2BADRA2CADORA1
SCHEMBL6622066 0.89 ADORA2A (0.61) ADORA2AADRA2AADRA2BADRA2CADORA1
SCHEMBL6633156 0.88 ADORA2A (0.63) ADORA2AADRA2AADRA2BADRA2CADORA1
SCHEMBL6633371 0.86 ADORA2A (0.65) ADORA2AADRA2AADRA2BADRA2CADORA1
SCHEMBL6632376 0.85 ADRA2A (0.53) ADORA2AADRA2AADRA2BADRA2CADORA1
SCHEMBL6631798 0.83 ADRA2A (0.59) ADORA2AADRA2AADRA2BADRA2CADORA1
SCHEMBL6624412 0.83 ADRA2A (0.62) ADORA2AADRA2AADRA2BADRA2CADORA1
SCHEMBL6634127 0.82 ADORA2A (0.65) ADORA2AADRA2AADRA2BADRA2CADORA1
SCHEMBL6623375 0.82 ADRA2A (0.67) ADORA2AADRA2AADRA2BADRA2CADORA1

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
EP-1430898-A1 RECEPTOR ANTAGONIST KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-06-23 EP disclosed
US-20040110826-A1 Receptor Antagonists KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-06-10 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 (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-20040110826-A1 Receptor Antagonists ADRA2C, OPRL1, ADRB1 ADORA2A 89/4885ADRA2A 7/4885ADRA2B 13/4885

“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.