SCHEMBL21959643

SCHEMBL21959643

Cc1n[nH]c2c(C(N)=O)cc(O)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.38
▸ ADORA2B P29275 2/20 0.38
▸ KDR P35968 2/20 0.36
▸ CSNK2A2 P19784 1/20 0.36
▸ CSNK2B P67870 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ CDC7 O00311 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ BTK Q06187 4/20 0.33
▸ RCE1 Q9Y256 1/20 0.33
▸ DAO P14920 1/20 0.33
▸ HCAR2 Q8TDS4 1/20 0.33
▸ AURKA O14965 3/20 0.32
▸ RPS6KB1 P23443 2/20 0.32
▸ AURKB Q96GD4 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ MAP2K4 P45985 1/20 0.32
▸ MAPKAPK2 P49137 1/20 0.32
▸ MAPKAPK3 Q16644 1/20 0.32
▸ MAPK6 Q16659 1/20 0.32

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
SCHEMBL20674523 0.81 ADORA2A (0.37) ADORA2AADORA2BKDRCSNK2A2DAO
SCHEMBL30843997 0.75 BTK (0.49) KDRCDC7KDM4EBTKAURKA
SCHEMBL23937713 0.74 ADORA2A (0.38) ADORA2AADORA2BKDRCSNK2A2CSNK2B
SCHEMBL21958558 0.73 ADORA2A (0.37) ADORA2AADORA2BKDM4E
SCHEMBL20674101 0.72 IKBKB (0.39) BTKCSF1R
SCHEMBL20674108 0.71 ADORA2A (0.38) ADORA2AADORA2BKDRCSNK2A2CSNK2B
SCHEMBL20674485 0.68 ADORA2A (0.36) ADORA2AADORA2BCDK5
SCHEMBL21958608 0.67 CCNC (0.38) ADORA2AADORA2BKDRCSNK2A2CSNK2A1
SCHEMBL21959640 0.67 PIM3 (0.47) ADORA2AADORA2BKDRKDM4ERCE1
SCHEMBL31750497 0.67 ADORA2A (0.41) ADORA2AADORA2BKDRCSNK2A2CSNK2B

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
EP-3399968-B1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LTD (KY) 2021-10-20 — — EP disclosed
US-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LIMITED (KY) 2020-04-30 — — 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-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 ADORA2A 4797/4885ADORA2B 4772/4885KDR 86/4885

“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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