SCHEMBL20186942

SCHEMBL20186942

Cc1cn(C)c2ccc(B3OC(C)(C)C(C)(C)O3)cc12

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LPL P06858 13/20 0.39
LIPG Q9Y5X9 13/20 0.39
IRAK4 Q9NWZ3 1/20 0.39
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
CSF1R P07333 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
FFAR1 O14842 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL29856116 1.00 LPL (0.39) LPLLIPGIRAK4IDO1TDO2
SCHEMBL21816655 0.88 IRAK4 (0.41) LPLLIPGIRAK4IDO1TDO2
SCHEMBL31452590 0.84 LPL (0.38) LPLLIPGIRAK4IDO1TDO2
SCHEMBL28430637 0.81 LPL (0.41) LPLLIPGIRAK4IDO1TDO2
SCHEMBL24450016 0.79 HIF1A (0.38) LPLLIPGIRAK4IDO1TDO2
SCHEMBL22923019 0.79 LPL (0.46) LPLLIPGIRAK4IDO1TDO2
SCHEMBL16291887 0.78 NQO2 (0.49) LPLLIPGIRAK4IDO1TDO2
SCHEMBL18239408 0.77 LPL (0.42) LPLLIPGIRAK4IDO1TDO2
SCHEMBL16293501 0.77 PRMT5 (0.38) LPLLIPGIRAK4IDO1TDO2
SCHEMBL31452631 0.76 NR4A2 (0.54) PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3648753-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS Pharmatech Limited (KY) 2020-05-13 EP disclosed
CN-111093645-A Selective inhibitors of clinically important mutants of EGFR tyrosine kinase CS制药技术有限公司 2020-05-01 CN disclosed
US-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LIMITED (KY) 2020-04-30 US disclosed
WO-2019010295-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LIMITED (KY) 2019-01-10 WO disclosed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US disclosed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 US disclosed
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-05-31 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 (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-20200131176-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 LPL 4305/4885LIPG 1473/4885IRAK4 1733/4885
US-20180148429-A1 SUBSTITUTED QUINOXALINE DERIVATIVES BRCA1, NQO2, NQO1 LPL 4519/4885LIPG 2601/4885IRAK4 1577/4885

“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.