SCHEMBL19100299

SCHEMBL19100299

c1ccc2c(NC3CCOC3)n[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 8/20 0.49
MCHR1 Q99705 2/20 0.47
LRRK2 Q5S007 1/20 0.44
GSK3B P49841 1/20 0.42
KCNH2 Q12809 1/20 0.42
ADRA2A P08913 2/20 0.42
TRPA1 O75762 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ACHE P22303 1/20 0.40
MAT2A P31153 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
MAPK10 P53779 1/20 0.40

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
SCHEMBL28615180 0.72 HTT (0.40) NPC1RAB9A
SCHEMBL2144527 0.72 DYRK1A (0.49) MAPK1LRRK2GSK3B
SCHEMBL8304925 0.72 ADRA2A (0.51) MCHR1ADRA2ATRPA1NPC1RAB9A
SCHEMBL5562284 0.72 KDM4E (0.41) LRRK2NPC1RAB9AMAPK10
SCHEMBL25296597 0.71 KDM4E (0.51) NPC1RAB9AMAT2AADORA3ADORA2A
SCHEMBL30488620 0.71 KDM4E (0.51) NPC1RAB9AMAT2AADORA3ADORA2A
SCHEMBL16822633 0.71 CD38 (0.58) LRRK2ADORA3ADORA2AADORA2BADORA1
SCHEMBL25296596 0.71 KDM4E (0.51) NPC1RAB9AMAT2AADORA3ADORA2A
SCHEMBL17805439 0.71 ADORA3 (0.42) MAPK1MAT2AADORA3ADORA2AADORA2B
SCHEMBL31210627 0.70 MAPK1 (0.48) MAPK1LRRK2

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 5 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-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
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 MAPK1 240/4885MCHR1 3990/4885LRRK2 422/4885
US-20190023689-A1 SELECTIVE INHIBITORS OF CLINICALLY IMPORTANT MUTANTS OF THE EGFR TYROSINE KINASE EGFR, ERBB3, ERBB2 MAPK1 240/4885MCHR1 3990/4885LRRK2 422/4885

“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.