SCHEMBL4496406

SCHEMBL4496406

Cc1[nH]c2nc(-c3ccccc3)nc(NC3CC[C@@H](O)[C@@H](O)C3)c2c1C

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 11/20 0.78
▸ ADORA2A P29274 9/20 0.78
▸ ADORA3 P0DMS8 2/20 0.47
▸ ADORA2B P29275 1/20 0.47
▸ ACP1 P24666 3/20 0.43
▸ PDE5A O76074 2/20 0.39
▸ EGFR P00533 1/20 0.38
▸ IRAK4 Q9NWZ3 1/20 0.38

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
SCHEMBL4251032 0.90 ADORA1 (0.87) ADORA1ADORA2AADORA3ADORA2BACP1
SCHEMBL4251034 0.90 ADORA1 (0.87) ADORA1ADORA2AADORA3ADORA2BACP1
SCHEMBL4251031 0.90 ADORA1 (0.87) ADORA1ADORA2AADORA3ADORA2BACP1
SCHEMBL15425807 0.84 ADORA1 (0.81) ADORA1ADORA2AADORA3ADORA2BACP1
SCHEMBL15426758 0.82 ADORA1 (0.77) ADORA1ADORA2AADORA3ADORA2BACP1
SCHEMBL15425800 0.80 ADORA1 (0.74) ADORA1ADORA2AADORA3ADORA2BACP1
SCHEMBL15426757 0.80 ADORA1 (0.74) ADORA1ADORA2AADORA3ADORA2BACP1
SCHEMBL4256817 0.79 ADORA1 (0.69) ADORA1ADORA2AADORA3ADORA2BACP1
SCHEMBL8355377 0.79 ADORA1 (0.62) ADORA1ADORA2AADORA3ADORA2BACP1
SCHEMBL15425805 0.78 ADORA1 (0.70) ADORA1ADORA2AADORA3ADORA2B

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-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2009-03-26 — — 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-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use ADORA3, ADORA2A, ADORA1 ADORA1 3/4885ADORA2A 2/4885ADORA3 1/4885

“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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