SCHEMBL18944015

SCHEMBL18944015

Ic1cccc(-c2cnc3[nH]c(C4=CCSCC4)cc3c2)n1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 2/20 0.38
CCNT1 O60563 1/20 0.38
ULK1 O75385 5/20 0.36
BTK Q06187 3/20 0.35
BRD4 O60885 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
SCHEMBL18944013 0.83 TDP1 (0.39) CDK9ULK1BRD4
SCHEMBL18944019 0.82 ULK1 (0.47) CDK9CCNT1ULK1BTKBRD4
SCHEMBL20034121 0.80 CDK9 (0.42) CDK9CCNT1ULK1
SCHEMBL18944018 0.79 ULK1 (0.45) CDK9CCNT1ULK1BRD4
SCHEMBL18944010 0.77 BRD4 (0.51) ULK1BRD4
SCHEMBL18918783 0.76 ULK1 (0.44) CDK9CCNT1ULK1BTK
SCHEMBL23912185 0.75 ULK1 (0.42) CDK9CCNT1ULK1BTKBRD4
SCHEMBL18944009 0.75 CYP19A1 (0.46) ULK1BRD4
SCHEMBL18944014 0.75 ULK1 (0.42) ULK1BTKBRD4
SCHEMBL18944017 0.75 ULK1 (0.44) ULK1BRD4

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 CDK9 293/4885CCNT1 1621/4885ULK1 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.