SCHEMBL5458838

SCHEMBL5458838

COc1cccc(Cn2cnc3c(Cl)nc(Cl)nc32)c1

nearest known ligand 0.76

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 12/20 0.76
ADORA2A P29274 1/20 0.55
ADORA1 P30542 1/20 0.55
PDE8A O60658 1/20 0.54
HSP90AA1 P07900 2/20 0.53
HSP90AB1 P08238 2/20 0.53
PPARD Q03181 1/20 0.49
TP53 P04637 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL3394076 0.88 HSP90AB1 (0.68) YTHDC1ADORA2AADORA1HSP90AA1HSP90AB1
SCHEMBL27388305 0.86 YTHDC1 (1.00) YTHDC1
SCHEMBL3821565 0.86 YTHDC1 (0.57) YTHDC1ADORA2APDE8AHSP90AA1HSP90AB1
SCHEMBL5458724 0.84 YTHDC1 (0.61) YTHDC1ADORA2AADORA1TP53RXFP1
SCHEMBL5451873 0.84 YTHDC1 (0.72) YTHDC1ADORA2AADORA1PDE8A
SCHEMBL30898205 0.84 YTHDC1 (0.72) YTHDC1ADORA2AADORA1PDE8A
SCHEMBL5465712 0.82 ADORA2A (0.79) YTHDC1ADORA2AADORA1
SCHEMBL183057 0.82 YTHDC1 (0.68) YTHDC1ADORA2A
SCHEMBL30898278 0.82 YTHDC1 (0.68) YTHDC1ADORA2A
SCHEMBL22345236 0.81 YTHDC1 (0.56) YTHDC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070203159-A1 Purine compounds UNIVERSITETET I OLSO (NO) 2007-08-30 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-20070203159-A1 Purine compounds PNP, UMPS, TYMP YTHDC1 632/4885ADORA2A 96/4885ADORA1 149/4885

“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.