SCHEMBL15680418

SCHEMBL15680418

CCn1nc(C)c(=O)c2cc(O)c(O)cc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.54
▸ ADORA2B P29275 3/20 0.54
▸ SRC P12931 2/20 0.45
▸ MAPK8 P45983 5/20 0.44
▸ LMNA P02545 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ ESR1 P03372 1/20 0.42
▸ ALOX15 P16050 1/20 0.35
▸ KMO O15229 1/20 0.34
▸ DAPK3 O43293 1/20 0.33
▸ MET P08581 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ CSNK1D P48730 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ RPS6KA3 P51812 1/20 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
SCHEMBL14854366 0.83 ESR1 (0.44) ADORA2AADORA2BSRCMAPK8LMNA
SCHEMBL11012825 0.82 KDM4E (0.51) ADORA2AADORA2BSRCMAPK8LMNA
SCHEMBL9319737 0.80 ALDH1A1 (0.66) ADORA2AADORA2BSRCMAPK8LMNA
SCHEMBL19426204 0.80 SRC (0.42) ADORA2AADORA2BSRCMAPK8LMNA
SCHEMBL17191906 0.80 SRC (0.42) ADORA2AADORA2BSRCMAPK8LMNA
SCHEMBL14842265 0.80 ALDH1A1 (0.52) ADORA2AADORA2BSRCMAPK8LMNA
Hydrochloric Acid SCHEMBL11012829 0.79 ALDH1A1 (0.64) ADORA2AADORA2BSRCMAPK8LMNA
SCHEMBL14854341 0.78 ADORA2A (0.50) ADORA2AADORA2BSRCMAPK8KDM4E
SCHEMBL17193027 0.78 ALDH1A1 (0.50) ADORA2AADORA2BSRCMAPK8LMNA
SCHEMBL14845174 0.77 ALDH1A1 (0.49) ADORA2AADORA2BSRCLMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 — — US disclosed
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LTD (GB) 2015-10-22 — — US disclosed
WO-2014068388-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2014-05-08 — — WO 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 (2 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-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS CEP170, CES2, CMBL ADORA2A 4272/4885ADORA2B 4155/4885SRC 4027/4885
US-20150299223-A1 2-SUBSTITUTED CEPHEM COMPOUNDS CEP170, ABL1, CEPT1 ADORA2A 4736/4885ADORA2B 4250/4885SRC 3055/4885

“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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