SCHEMBL12418518

SCHEMBL12418518

Nc1ncnc2c1ncn2CO[C@@H](CCO)CNC(=O)/C=C/c1ccccc1O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ EGFR P00533 3/20 0.40
▸ ERBB2 P04626 1/20 0.37
▸ BRAF P15056 1/20 0.37
▸ KDR P35968 1/20 0.37
▸ TEK Q02763 1/20 0.37
▸ AURKB Q96GD4 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PI4KA P42356 1/20 0.37
▸ PI4K2B Q8TCG2 1/20 0.37
▸ PI4K2A Q9BTU6 1/20 0.37
▸ PI4KB Q9UBF8 1/20 0.37
▸ CA2 P00918 3/20 0.37
▸ CA4 P22748 3/20 0.37
▸ CA9 Q16790 3/20 0.37
▸ CA1 P00915 2/20 0.37
▸ AHCY P23526 5/20 0.36
▸ BACE1 P56817 1/20 0.36

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
SCHEMBL12417935 0.84 ADORA2A (0.44) ADORA2AADORA1EGFRERBB2BRAF
SCHEMBL12418520 0.80 ENPP1 (0.42) ADORA2AADORA1EGFRPI4KAPI4K2B
SCHEMBL12417901 0.73 AHCY (0.40) ADORA2AADORA1EGFRALDH1A1PI4KA
SCHEMBL12419034 0.73 TRPM2 (0.53) —
SCHEMBL4093935 0.69 ADORA2A (0.64) ADORA2AADORA1ALDH1A1PI4KAPI4K2B
SCHEMBL4093938 0.69 AHCY (0.61) ADORA2AADORA1ALDH1A1PI4KAPI4K2B
SCHEMBL12379241 0.68 DOT1L (0.57) ADORA2AADORA1PI4KAPI4K2BPI4K2A
Phosphoric Acid SCHEMBL10601870 0.66 AHCY (0.55) ADORA2AADORA1ALDH1A1PI4KAPI4K2B
SCHEMBL10813839 0.66 ADORA2A (0.50) ADORA2AADORA1ALDH1A1PI4KAPI4K2B
SCHEMBL10818140 0.66 ADORA2A (0.50) ADORA2AADORA1EGFRALDH1A1PI4KA

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
US-7989430-B2 Antibacterial agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 — — US disclosed
US-20080293666-A1 Antibacterial Agents REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2008-11-27 — — 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-20080293666-A1 Antibacterial Agents MRPL21, ABCB7, MSR1 ADORA2A 2428/4885ADORA1 865/4885EGFR 791/4885

“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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