SCHEMBL10140962

SCHEMBL10140962

CC(C)c1cc2ncc(C(C)(C)C)cc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 13/20 0.38
KCNH2 Q12809 1/20 0.36
PDE10A Q9Y233 1/20 0.36
METAP2 P50579 1/20 0.35
DHFR P00374 1/20 0.33
SLC2A1 P11166 1/20 0.33
TRPV1 Q8NER1 1/20 0.31
KIF11 P52732 2/20 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
SCHEMBL25723818 0.85 SCN10A (0.39) SCN10AKCNH2PDE10A
SCHEMBL890257 0.77 SCN10A (0.36) SCN10AMETAP2DHFRSLC2A1KIF11
SCHEMBL21100918 0.77 SCN10A (0.39) SCN10AKCNH2PDE10AMETAP2KIF11
SCHEMBL25723824 0.77 LMNA (0.39) DHFRSLC2A1KIF11
SCHEMBL10147352 0.77 CYP1A2 (0.37) METAP2DHFRSLC2A1
SCHEMBL12978393 0.76 DHFR (0.34) DHFRSLC2A1
SCHEMBL25723822 0.76 DYRK1A (0.46) DHFRSLC2A1
SCHEMBL25723817 0.76 DHFR (0.34) DHFRSLC2A1
SCHEMBL20618791 0.73 SCN10A (0.36) SCN10AKCNH2PDE10AMETAP2KIF11
SCHEMBL10141921 0.73 PARP1 (0.34) DHFRSLC2A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-02-02 US disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2012-02-16 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-20120039848-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 SCN10A 4134/4885KCNH2 3887/4885PDE10A 1452/4885
US-20230030115-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA SCN10A 3860/4885KCNH2 4406/4885PDE10A 295/4885

“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.