SCHEMBL13777723

SCHEMBL13777723

CCNC(=O)[C@@H](OCn1cnc2c(NC(CC)CC)nc(C#CCC3CCN(C(=O)OC)CC3)nc21)C(O)CO

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 12/20 0.40
▸ ADORA3 P0DMS8 11/20 0.35
▸ ADORA1 P30542 11/20 0.35
▸ CCNA2 P20248 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ CCNA1 P78396 1/20 0.34
▸ ADORA2B P29275 4/20 0.31

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
SCHEMBL3485504 0.88 ADORA3 (0.38) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL3484982 0.86 ADORA2A (0.37) ADORA2AADORA3ADORA1CCNA2CDK2
SCHEMBL13777743 0.86 ADORA2A (0.37) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL3478717 0.82 ADORA2A (0.41) ADORA2AADORA3ADORA1CDK2ADORA2B
SCHEMBL13645791 0.81 ADORA2A (0.57) ADORA2AADORA3ADORA1
SCHEMBL14393443 0.81 ADORA2A (0.42) ADORA2AADORA3ADORA1
SCHEMBL14393607 0.80 ADORA2A (0.42) ADORA2AADORA3ADORA1
SCHEMBL14393327 0.80 ADORA2A (0.42) ADORA2AADORA3ADORA1
SCHEMBL13777730 0.80 ADORA2A (0.42) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL13777773 0.80 ADORA2A (0.49) ADORA2AADORA3ADORA1ADORA2B

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-20090170803-A1 ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-07-02 — — 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-20090170803-A1 ADJUNCTIVE TREATMENT OF BIOLOGICAL DISEASES ADORA2A, PDE4A, PDE4B ADORA2A 1/4885ADORA3 7/4885ADORA1 10/4885

“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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