SCHEMBL18944014

SCHEMBL18944014

Ic1cccc(-c2cnc3[nH]c(-c4cncnc4)cc3c2)n1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 7/20 0.42
BRD4 O60885 1/20 0.39
PIK3CG P48736 1/20 0.35
ORAI1 Q96D31 2/20 0.35
CLK2 P49760 3/20 0.34
CLK3 P49761 3/20 0.34
DYRK1A Q13627 3/20 0.34
RIPK1 Q13546 3/20 0.34
BTK Q06187 2/20 0.32
ITK Q08881 2/20 0.32
KIT P10721 1/20 0.32
WNT1 P04628 1/20 0.32

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
SCHEMBL18944009 0.88 CYP19A1 (0.46) ULK1BRD4CLK2CLK3DYRK1A
SCHEMBL18944017 0.87 ULK1 (0.44) ULK1BRD4PIK3CGRIPK1
SCHEMBL18944010 0.87 BRD4 (0.51) ULK1BRD4PIK3CGRIPK1KIT
SCHEMBL18944011 0.82 FYN (0.43) ULK1BRD4PIK3CG
SCHEMBL18944012 0.82 CCNB2 (0.46) ULK1BRD4PIK3CGRIPK1KIT
SCHEMBL18944018 0.77 ULK1 (0.45) ULK1BRD4PIK3CGORAI1
SCHEMBL18944013 0.76 TDP1 (0.39) ULK1BRD4
SCHEMBL18944019 0.76 ULK1 (0.47) ULK1BRD4PIK3CGBTK
SCHEMBL18944015 0.75 CDK9 (0.38) ULK1BRD4BTK
SCHEMBL20034121 0.74 CDK9 (0.42) ULK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9938273-B2 Compounds and methods for kinase modulation, and indications therefor PLEXXIKON INC. (US) 2018-04-10 US disclosed
US-20170158690-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. 2017-06-08 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 (1 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-20170158690-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR MAP3K11, MAP3K13, WEE2 ULK1 495/4885BRD4 1388/4885PIK3CG 372/4885

“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.