SCHEMBL20007973

SCHEMBL20007973

CO[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H](O)n1cnc2c(C#Cc3ccc(F)cc3)ncnc21

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 1/20 0.35
▸ ADORA3 P0DMS8 4/20 0.33
▸ ADORA2A P29274 4/20 0.33
▸ ADORA1 P30542 4/20 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
SCHEMBL23080208 0.92 ADK (0.32) —
SCHEMBL23080278 0.90 ABL1 (0.39) RETADORA3
SCHEMBL20008116 0.89 NAE1 (0.32) —
SCHEMBL20008399 0.85 ABL1 (0.40) RETADORA3ADORA2AADORA1
SCHEMBL20008212 0.83 ADORA3 (0.34) ADORA3
SCHEMBL23080248 0.83 — —
SCHEMBL23080263 0.83 ATG7 (0.32) —
SCHEMBL20008103 0.83 ATG7 (0.34) —
SCHEMBL23080242 0.81 CCNB2 (0.48) ADORA3ADORA2AADORA1
SCHEMBL23080291 0.79 ADORA2A (0.33) RETADORA3ADORA2AADORA1

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-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. 2018-03-29 — — 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-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 RET 3045/4885ADORA3 1669/4885ADORA2A 1750/4885

“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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