SCHEMBL12026521

SCHEMBL12026521

CC(C)(C)N1CC(c2ccncc2)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ RIPK1 Q13546 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ LMNA P02545 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ KMT2A Q03164 1/20 0.35
▸ CYP19A1 P11511 1/20 0.34
▸ ATM Q13315 1/20 0.32
▸ KIF11 P52732 1/20 0.32
▸ HSD11B1 P28845 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
SCHEMBL17886516 0.85 TP53 (0.46) TP53L3MBTL1CYP1A2CYP2C19LMNA
SCHEMBL21341819 0.83 TP53 (0.41) TP53CYP1A2CYP2C19LMNAHSD11B1
SCHEMBL3929472 0.81 TP53 (0.51) TP53L3MBTL1CYP1A2CYP2C19LMNA
SCHEMBL20782183 0.79 BRD4 (0.44) GAAMAPT
SCHEMBL12026514 0.78 CYP11B2 (0.51) LMNAMAPTTDP1
SCHEMBL12026519 0.78 ATM (0.33) ATM
SCHEMBL12049774 0.77 CYP1A2 (0.41) TP53L3MBTL1GAACYP1A2CYP2C19
SCHEMBL15531289 0.76 SLC18A3 (0.37) GAAMAPTKMT2ACYP19A1ATM
SCHEMBL16936788 0.76 BRD4 (0.47) CYP1A2CYP2C19LMNA
SCHEMBL19226601 0.75 TP53 (0.44) TP53CYP1A2CYP2C19LMNAHSD11B1

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 6 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-20220378743-A1 METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) 2022-12-01 — — 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-8957073-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. 2015-02-17 — — US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 — — 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 (5 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 TP53 3942/4885L3MBTL1 4857/4885GAA 1672/4885
US-11130749-B2 — ROCK1, RHOA, ROCK2 TP53 3441/4885L3MBTL1 4554/4885GAA 1024/4885
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA TP53 3942/4885L3MBTL1 4857/4885GAA 1672/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A TP53 4835/4885L3MBTL1 4426/4885GAA 442/4885
US-20220378743-A1 METHOD FOR TREATING FATTY LIVER DISEASE AND/OR STEATOHEPATITIS SLC10A1, CYP7A1, FABP1 TP53 2036/4885L3MBTL1 2667/4885GAA 848/4885

“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.

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