SCHEMBL18367678

SCHEMBL18367678

CC(C)(C)c1cn(C(C)(C)C(N)=O)nn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
GRN P28799 1/20 0.36
SORT1 Q99523 1/20 0.36
DPP4 P27487 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
CDK8 P49336 2/20 0.33
AURKA O14965 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
LTK P29376 1/20 0.33
CSNK1A1 P48729 1/20 0.33
CLK2 P49760 1/20 0.33
CDK5 Q00535 1/20 0.33
ACVR1 Q04771 1/20 0.33
CLK4 Q9HAZ1 1/20 0.33
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL18367675 0.84 GABRA2 (0.37) KDM4EGRNSORT1DPP4GABRA2
SCHEMBL18377728 0.79 MAPT (0.34) CDK8AURKACSF1RRETLTK
SCHEMBL18999237 0.79 KDM4E (0.34) KDM4EGRNSORT1GABRA2GABRB2
SCHEMBL31124044 0.76 NOTUM (0.35) KDM4EGRNSORT1DPP4
SCHEMBL22030529 0.76 GABRA2 (0.37) DPP4GABRA2GABRB2HRH4HRH3
SCHEMBL10089709 0.76 GABRA2 (0.42) KDM4EGRNSORT1DPP4GABRA2
SCHEMBL18367558 0.75 GABRA2 (0.38) KDM4EGRNSORT1DPP4GABRA2
SCHEMBL18999256 0.75 CYP4F2 (0.43) KDM4EGRNSORT1HRH4HRH3
SCHEMBL19589452 0.74 GRN (0.37) KDM4EGRNSORT1DPP4GABRA2
SCHEMBL18812323 0.72 GABRA2 (0.37) DPP4GABRA2GABRB2HRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10316017-B2 COT modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2019-06-11 US disclosed
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-9815818-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2017-11-14 US disclosed
US-9815818-B2 Cot modulators and methods of use thereof GILEAD SCIENCES, INC. (US) 2017-11-14 US disclosed
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-01-12 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 (3 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-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS KDM4E 1288/4885GRN 4136/4885SORT1 4359/4885
US-10316017-B2 COT modulators and methods of use thereof BRDT, THRB, HCCS KDM4E 1288/4885GRN 4136/4885SORT1 4359/4885
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS KDM4E 1288/4885GRN 4136/4885SORT1 4359/4885

“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.