SCHEMBL4572241

SCHEMBL4572241

CC(C)c1cccc2c1cnn2C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
TSHR P16473 3/20 0.34
CYP1A2 P05177 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
CYP3A4 P08684 2/20 0.34
FAAH O00519 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
GABRB1 P18505 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
HTR2B P41595 1/20 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
SCHEMBL15077331 0.77 CCR4 (0.39) TSHRCYP1A2GABRA1GABRG2GABRB3
SCHEMBL12120875 0.76 EZH2 (0.39) TSHRCYP1A2GABRA1GABRG2GABRB3
SCHEMBL4569752 0.76 CYP3A4 (0.37) SCN9ASCN10ATSHRCYP1A2GABRA1
SCHEMBL19964477 0.76 GABRA1 (0.36) TSHRCYP1A2GABRA1GABRG2GABRB3
SCHEMBL26596979 0.76 MKNK1 (0.40) SCN9ASCN10ATSHRCYP1A2CYP3A4
SCHEMBL29303771 0.73 GABRA1 (0.34) TSHRCYP1A2GABRA1GABRG2GABRB3
SCHEMBL29303183 0.73 GABRA1 (0.34) TSHRCYP1A2GABRA1GABRG2GABRB3
SCHEMBL18995897 0.73 CYP3A4 (0.50) SCN9ASCN10ATSHRCYP3A4NR3C2
SCHEMBL16775695 0.73 GABRA1 (0.35) TSHRCYP1A2GABRA1GABRG2GABRB3
SCHEMBL21937624 0.72 GRM2 (0.41) TSHRCYP1A2GABRA1GABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS JIANG, SHAN 2012-05-17 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-20120122895-A1 5,6-BICYCLIC HETEROARYL-CONTAINING UREA COMPOUNDS AS KINASE INHIBITORS FLT3, CSF1R, EPHA2 SCN9A 4577/4885SCN10A 4782/4885TSHR 1510/4885

“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.