Sugi Predict

Sugi Predict / Compounds / SCHEMBL19100799

SCHEMBL19100799

SCHEMBL19100799

CC(C)(C)c1cc(Br)cc(I)c1N

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ POLB P06746 1/20 0.31
▸ PTGDR2 Q9Y5Y4 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ ATP2A2 P16615 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ ATP2A3 Q93084 1/20 0.30

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
SCHEMBL2618840 0.81 SMN1; SMN2 (0.32) CA2POLBPTGDR2KDM4EALDH1A1
SCHEMBL17844704 0.79 KDM1A (0.36) CA1CA2CA9POLBKDM4E
SCHEMBL8248030 0.78 MAPT (0.39) CA1CA2CA9POLBPTGDR2
SCHEMBL18076660 0.77 CA1 (0.44) CA1CA2CA9ALDH1A1MAPT
SCHEMBL2714462 0.75 CA2 (0.46) CA1CA2POLBKDM4EALDH1A1
SCHEMBL2098677 0.75 CYP3A4 (0.36) CA1CA2CA9POLBPTGDR2
SCHEMBL29470926 0.75 CYP3A4 (0.36) CA1CA2CA9POLBPTGDR2
SCHEMBL2319760 0.72 PTGDR2 (0.32) PTGDR2
SCHEMBL27568786 0.72 MAPT (0.46) CA1CA2POLBPTGDR2ALDH1A1
SCHEMBL12678876 0.72 PTGS2 (0.40) CA1CA2PTGDR2ALDH1A1ALOX15

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-3399968-B1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS PHARMATECH LTD (KY) 2021-10-20 — — EP disclosed
CN-109328059-B Selective inhibitors of clinically important mutants of EGFR tyrosine kinase CS制药技术有限公司 2021-08-17 — — CN disclosed
US-10435388-B2 Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase CS PHARMATECH LIMITED (KY) 2019-10-08 — — US disclosed
CN-109328059-A Selective inhibitors of clinically important mutants of EGFR tyrosine kinase CS制药技术有限公司 2019-02-12 — — CN 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
EP-3399968-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS Pharmatech Limited (KY) 2018-11-14 — — EP disclosed
WO-2017120429-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE CS Pharmasciences, Inc. (US) 2017-07-13 — — 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-10435388-B2 Selective inhibitors of clinically important mutants of the EGFR tyrosine kinase EGFR, ERBB3, ERBB2 CA1 1379/4885CA2 1074/4885CA9 1118/4885
US-20190023689-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 CA1 1379/4885CA2 1074/4885CA9 1118/4885

“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.