SCHEMBL18944010

SCHEMBL18944010

Ic1cccc(-c2cnc3[nH]c(-c4ccccc4)cc3c2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.51
PIK3CG P48736 1/20 0.46
ULK1 O75385 4/20 0.46
KIT P10721 6/20 0.42
CCNB2 O95067 2/20 0.42
CDK1 P06493 2/20 0.42
CCNB1 P14635 2/20 0.42
CDK5 Q00535 2/20 0.42
CDK5R1 Q15078 2/20 0.42
CCNB3 Q8WWL7 2/20 0.42
GSK3A P49840 1/20 0.40
GSK3B P49841 1/20 0.40
RIPK1 Q13546 3/20 0.39
AXL P30530 1/20 0.39
CDK8 P49336 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL18944017 0.90 ULK1 (0.44) BRD4PIK3CGULK1RIPK1KDM4E
SCHEMBL18944009 0.87 CYP19A1 (0.46) BRD4ULK1RIPK1
SCHEMBL18944014 0.87 ULK1 (0.42) BRD4PIK3CGULK1KITRIPK1
SCHEMBL18944012 0.87 CCNB2 (0.46) BRD4PIK3CGULK1KITCCNB2
SCHEMBL18944011 0.85 FYN (0.43) BRD4PIK3CGULK1
SCHEMBL23912153 0.84 BRD4 (0.57) BRD4PIK3CGULK1KITCCNB2
SCHEMBL18918667 0.81 ULK1 (0.59) BRD4PIK3CGULK1KIT
SCHEMBL23912160 0.81 BRD4 (0.48) BRD4PIK3CGULK1KITCCNB2
SCHEMBL18944018 0.79 ULK1 (0.45) BRD4PIK3CGULK1
SCHEMBL18944013 0.78 TDP1 (0.39) BRD4ULK1NPC1RAB9A

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 3 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
WO-2017100201-A1 COMPOUNDS AND METHODS FOR KINASE MODULATION, AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2017-06-15 WO 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 BRD4 1388/4885PIK3CG 372/4885ULK1 495/4885

“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.