SCHEMBL18136754

SCHEMBL18136754

COc1cnc2[nH]cc(-c3ccc4[nH]c(C)nc4c3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KIT P10721 9/20 0.50
MAP3K11 Q16584 4/20 0.48
DYRK1A Q13627 2/20 0.48
LRRK2 Q5S007 1/20 0.47

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
SCHEMBL18136451 0.82 KIT (0.53) KITMAP3K11DYRK1A
SCHEMBL18136750 0.81 KIT (0.51) KITMAP3K11DYRK1A
SCHEMBL18136450 0.80 MAP3K11 (0.72) KITMAP3K11DYRK1ALRRK2
SCHEMBL18136861 0.79 MAP3K11 (0.56) KITMAP3K11DYRK1ALRRK2
SCHEMBL1516625 0.79 MAP4K1 (0.55) KITMAP3K11DYRK1ALRRK2
SCHEMBL18136752 0.79 DYRK1A (0.56) DYRK1A
SCHEMBL18136698 0.78 KIT (0.54) KITMAP3K11DYRK1A
SCHEMBL18136753 0.76 MAP3K11 (0.56) KITMAP3K11DYRK1A
SCHEMBL18206097 0.75 KIT (0.50) KITMAP3K11DYRK1A
SCHEMBL3351151 0.75 MAPK8 (0.57) KITDYRK1A

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
US-10160755-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-12-25 US claimed
US-20160326162-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2016-11-10 US claimed
US-10160755-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-12-25 US disclosed
US-20160326162-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2016-11-10 US disclosed
US-20160326162-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2016-11-10 US disclosed
US-20160326162-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2016-11-10 US disclosed
WO-2016164641-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2016-10-13 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-10160755-B2 Compounds and methods for kinase modulation, and indications therefor MAP3K11, MAP4K2, PLK1 KIT 987/4885MAP3K11 1/4885DYRK1A 395/4885
US-20160326162-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K11, MAP4K2, PLK1 KIT 987/4885MAP3K11 1/4885DYRK1A 395/4885

“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.