SCHEMBL21100918

SCHEMBL21100918

CC(C)(C)c1cnc2cc(C(C)(C)C)[nH]c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 11/20 0.39
KCNH2 Q12809 1/20 0.39
PDE10A Q9Y233 1/20 0.38
METAP2 P50579 1/20 0.37
KIF11 P52732 2/20 0.33
GABRA1 P14867 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 1/20 0.32
GABRA3 P34903 1/20 0.32
GABRA2 P47869 1/20 0.32
GABRA4 P48169 1/20 0.32
GABRA6 Q16445 1/20 0.32
PLK4 O00444 1/20 0.32
CHEK1 O14757 1/20 0.32
AURKA O14965 1/20 0.32
CHUK O15111 1/20 0.32
PDPK1 O15530 1/20 0.32
JAK2 O60674 1/20 0.32
ROCK2 O75116 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
SCHEMBL20618791 0.88 SCN10A (0.36) SCN10AKCNH2PDE10AMETAP2KIF11
SCHEMBL13154866 0.81 CYP1A2 (0.36) PDE10AMETAP2AURKA
SCHEMBL10140962 0.77 SCN10A (0.38) SCN10AKCNH2PDE10AMETAP2KIF11
SCHEMBL13122864 0.77 SCN10A (0.33) SCN10AKIF11
SCHEMBL12622873 0.74 NR3C1 (0.39)
SCHEMBL4146607 0.74 BRD4 (0.44) SCN10AKCNH2PDE10AMETAP2KIF11
SCHEMBL15829280 0.74 SCN10A (0.43) SCN10AKCNH2PDE10AMETAP2RPS6KA3
SCHEMBL17449428 0.72 DYRK1A (0.53) SCN10AKCNH2PDE10AMETAP2CHEK1
SCHEMBL4140657 0.70 ATAD2 (0.53) METAP2CDK1CDK2MKNK2
SCHEMBL21652728 0.70 BRD4 (0.33) GABRA1

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-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-11130749-B2 2021-09-28 US disclosed
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-09-12 US disclosed
US-10329282-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2019-06-25 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 (4 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-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
US-11130749-B2 ROCK1, RHOA, ROCK2 SCN10A 3496/4885KCNH2 4410/4885PDE10A 435/4885
US-10329282-B2 Rho-associated protein kinase inhibitor, pharmaceutical composition comprising the same, as well as preparation method and use thereof ROCK1, RHOA, ROCK2 SCN10A 4018/4885KCNH2 4517/4885PDE10A 423/4885
US-20190276440-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.