SCHEMBL19100554

SCHEMBL19100554

COCOc1ncc(Br)cc1C

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.40
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
RECQL P46063 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
SCHEMBL1816280 0.84 TSHR (0.40) AAK1S1PR1S1PR3SMN1; SMN2HTT
SCHEMBL14485815 0.81 EGFR (0.33) AAK1SMN1; SMN2HTTKMT2ARECQL
SCHEMBL1404066 0.81 AAK1 (0.42) AAK1S1PR1S1PR3SMN1; SMN2HTT
SCHEMBL323430 0.80 AAK1 (0.38) AAK1S1PR1S1PR3SMN1; SMN2HTT
SCHEMBL5955753 0.77 AAK1 (0.36) AAK1S1PR1S1PR3
SCHEMBL17316585 0.75 AAK1 (0.47) AAK1S1PR1S1PR3KMT2A
SCHEMBL12145022 0.74 AAK1 (0.52) AAK1S1PR1S1PR3
SCHEMBL15633066 0.74 AAK1 (0.38) AAK1S1PR1S1PR3
SCHEMBL21513348 0.73 KDM4E (0.48) AAK1SMN1; SMN2KMT2A
SCHEMBL29969562 0.73 KDM4E (0.48) AAK1SMN1; SMN2KMT2A

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 AAK1 696/4885S1PR1 2859/4885S1PR3 1644/4885
US-20190023689-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 AAK1 696/4885S1PR1 2859/4885S1PR3 1644/4885

“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.