SCHEMBL18944019

SCHEMBL18944019

Ic1cccc(-c2cnc3[nH]c(C4=CCOCC4)cc3c2)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 2/20 0.47
PIK3CD O00329 5/20 0.39
PIK3CA P42336 5/20 0.39
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
MAPK14 Q16539 7/20 0.36
BTK Q06187 2/20 0.36
PIK3CB P42338 4/20 0.35
PIK3CG P48736 4/20 0.35
CSF1R P07333 1/20 0.35
BRD4 O60885 1/20 0.34
CSNK1E P49674 2/20 0.34
CSNK1D P48730 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
PIK3R1 P27986 2/20 0.34

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
SCHEMBL18944013 0.83 TDP1 (0.39) ULK1CDK9CSF1RBRD4
SCHEMBL18944015 0.82 CDK9 (0.38) ULK1CCNT1CDK9BTKBRD4
SCHEMBL20034121 0.81 CDK9 (0.42) ULK1CCNT1CDK9
SCHEMBL18944018 0.80 ULK1 (0.45) ULK1CCNT1CDK9PIK3CGBRD4
SCHEMBL18944010 0.78 BRD4 (0.51) ULK1PIK3CGBRD4
SCHEMBL18944017 0.76 ULK1 (0.44) ULK1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL18944012 0.76 CCNB2 (0.46) ULK1PIK3CGBRD4
SCHEMBL18944014 0.76 ULK1 (0.42) ULK1BTKPIK3CGBRD4
SCHEMBL18944135 0.74 ULK1 (0.55) ULK1BTK
SCHEMBL18944011 0.74 FYN (0.43) ULK1PIK3CGBRD4

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 495/4885PIK3CD 256/4885PIK3CA 127/4885

“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.