SCHEMBL19625281

SCHEMBL19625281

CC(C)(C)c1cn(C2CCCCC2)nn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.39
PSMB8 P28062 8/20 0.39
PSMB5 P28074 8/20 0.39
PSMB9 P28065 4/20 0.39
IDO1 P14902 3/20 0.34
SRC P12931 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
ACHE P22303 1/20 0.33
TSHR P16473 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
RET P07949 1/20 0.32
NPSR1 Q6W5P4 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
SCHEMBL12203587 0.98 HRH4 (0.37) HRH4PSMB8PSMB5PSMB9IDO1
SCHEMBL18161139 0.95 PSMB8 (0.35) HRH4PSMB8PSMB5PSMB9IDO1
SCHEMBL18367661 0.91 RET (0.36) HRH4PSMB8PSMB5PSMB9GABRA2
SCHEMBL13141302 0.84 RET (0.34) HRH4GABRA2GABRB2RET
SCHEMBL18367573 0.83 CNR2 (0.38) CNR1CNR2GABRA2GABRB2RET
SCHEMBL19589565 0.83 CHRNB2 (0.36) HRH4GABRA2GABRB2RET
SCHEMBL18367582 0.81 DRD2 (0.33) GABRA2GABRB2RET
SCHEMBL18367634 0.81 DRD2 (0.33) TSHRGABRA2GABRB2RETNPSR1
SCHEMBL18367637 0.80 IRAK4 (0.36) IDO1
SCHEMBL18367602 0.79 DRD4 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170362201-A1 COT MODULATORS AND METHODS OF USE THEREOF GILEAD SCIENCES, INC. 2017-12-21 US disclosed
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2017-11-23 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 HRH4 2806/4885PSMB8 4212/4885PSMB5 4062/4885
US-20170334912-A1 Purine Diones As Wnt Pathway Modulators WNT1, WNT3A, CTNNB1 HRH4 565/4885PSMB8 2297/4885PSMB5 3095/4885
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS HRH4 2806/4885PSMB8 4212/4885PSMB5 4062/4885

“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.