SCHEMBL20674108

SCHEMBL20674108

Cc1cc2c(C)n[nH]c2c(C(N)=O)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.38
▸ ADORA2B P29275 2/20 0.38
▸ POLB P06746 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ CSNK2A2 P19784 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ CSNK2B P67870 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ CYP1A2 P05177 1/20 0.33
▸ 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
▸ MAPKAPK5 Q8IW41 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ LMNA P02545 1/20 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
SCHEMBL23937713 0.87 ADORA2A (0.38) ADORA2AADORA2BPOLBCSNK2A2KDR
SCHEMBL21955881 0.74 BRAF (0.43) MAPK1MAP2K4MAPKAPK2MAPKAPK3MAPK6
SCHEMBL26851076 0.72 BTK (0.45) ADORA2APOLBKDRHTTCYP1A2
SCHEMBL21959643 0.71 ADORA2A (0.38) ADORA2AADORA2BCSNK2A2KDRCSNK2B
SCHEMBL20674524 0.69 YTHDC1 (0.41) ADORA2AADORA2BJAK2LIMK1CD38
SCHEMBL20674105 0.67 PIM3 (0.47) ADORA2AADORA2BPOLBKDRHTT
SCHEMBL23937710 0.66 YTHDC1 (0.38) ADORA2AADORA2BKDRJAK2LMNA
SCHEMBL30843997 0.66 BTK (0.49) KDRCYP1A2MAPK1BTKCD38
SCHEMBL6274465 0.65 MEN1 (0.40) POLBCYP1A2GRM5MEN1KMT2A
SCHEMBL15542652 0.65 JAK2 (0.40) CSNK2A2KDRCSNK2BCSNK2A1MAPK1

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-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LIMITED (KY) 2020-04-30 — — US disclosed
US-10435388-B2 Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase CS PHARMATECH LIMITED (KY) 2019-10-08 — — US disclosed
US-20190023689-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE HIGH GREAT INVESTMENT LIMITED (HK) 2019-01-24 — — 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 (3 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-10435388-B2 Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase EGFR, ERBB3, ERBB2 ADORA2A 4789/4885ADORA2B 4780/4885POLB 3475/4885
US-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 ADORA2A 4797/4885ADORA2B 4772/4885POLB 3247/4885
US-20190023689-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 ADORA2A 4789/4885ADORA2B 4780/4885POLB 3475/4885

“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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