SCHEMBL18367661

SCHEMBL18367661

CC(C)(C)c1cn(C2CC2)nn1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RET P07949 1/20 0.36
SMYD3 Q9H7B4 2/20 0.36
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
DRD2 P14416 2/20 0.32
DRD4 P21917 2/20 0.32
HRH4 Q9H3N8 2/20 0.32
KCNH2 Q12809 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
DRD3 P35462 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
PSMB8 P28062 1/20 0.30
PSMB9 P28065 1/20 0.30
PSMB5 P28074 1/20 0.30

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
SCHEMBL13141302 0.93 RET (0.34) RETSMYD3GABRA2GABRB2HRH4
SCHEMBL18161139 0.92 PSMB8 (0.35) RETSMYD3GABRA2GABRB2DRD2
SCHEMBL12203587 0.92 HRH4 (0.37) RETGABRA2GABRB2HRH4PSMB8
SCHEMBL19625281 0.91 HRH4 (0.39) RETGABRA2GABRB2HRH4PSMB8
SCHEMBL18367634 0.90 DRD2 (0.33) RETSMYD3GABRA2GABRB2DRD2
SCHEMBL18367573 0.88 CNR2 (0.38) RETGABRA2GABRB2
SCHEMBL19589565 0.88 CHRNB2 (0.36) RETGABRA2GABRB2HRH4HRH3
SCHEMBL18367582 0.86 DRD2 (0.33) RETGABRA2GABRB2DRD2DRD4
SCHEMBL18367602 0.84 DRD4 (0.40) DRD2DRD4KCNH2SIGMAR1DRD3
SCHEMBL18367629 0.84 GSK3B (0.36) RETDRD2DRD4KCNH2SIGMAR1

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-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 (2 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 RET 423/4885SMYD3 1000/4885GABRA2 2029/4885
US-20170008873-A1 COT MODULATORS AND METHODS OF USE THEREOF BRDT, THRB, HCCS RET 423/4885SMYD3 1000/4885GABRA2 2029/4885

“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.