SCHEMBL20618266

SCHEMBL20618266

CC(C)NC(=O)c1cc2ccc(C#N)cc2s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 2/20 0.54
▸ DHPS P49366 1/20 0.52
▸ LMNA P02545 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ HDAC1 Q13547 3/20 0.47
▸ HDAC3 O15379 2/20 0.47
▸ HDAC4 P56524 2/20 0.47
▸ HDAC7 Q8WUI4 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ HDAC10 Q969S8 2/20 0.47
▸ HDAC11 Q96DB2 2/20 0.47
▸ HDAC8 Q9BY41 2/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.47
▸ HDAC9 Q9UKV0 2/20 0.47
▸ HDAC5 Q9UQL6 2/20 0.47
▸ TP53 P04637 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ MAPK1 P28482 1/20 0.45

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
SCHEMBL1495712 0.82 HDAC1 (0.52) CHRNA7DHPSPOLBHDAC1HDAC3
SCHEMBL20612373 0.79 LMNA (0.54) CHRNA7DHPSLMNAPOLBSMN1; SMN2
SCHEMBL1495612 0.78 BCL2L1 (0.54) CHRNA7DHPSHDAC1HDAC3HDAC4
SCHEMBL20612371 0.78 HDAC1 (0.58) DHPSLMNAPOLBSMN1; SMN2HDAC1
SCHEMBL21417015 0.78 CHRNA7 (0.52) CHRNA7DHPSHDAC1HDAC3HDAC4
SCHEMBL13753385 0.77 HDAC3 (0.68) LMNAPOLBSMN1; SMN2HDAC1HDAC3
SCHEMBL24944333 0.77 HDAC1 (0.57) DHPSLMNAPOLBSMN1; SMN2HDAC1
SCHEMBL21101418 0.77 HDAC1 (0.77) LMNAPOLBSMN1; SMN2HDAC1HDAC3
SCHEMBL5232952 0.75 DYRK1A (0.48) CHRNA7DHPSHDAC1CLK1DYRK1A
SCHEMBL20596969 0.73 LMNA (0.48) CHRNA7LMNAPOLBSMN1; SMN2HDAC1

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
EP-3647311-B1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF BEIJING TIDE PHARMACEUTICAL CO LTD (CN) 2023-11-01 — — EP disclosed
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
EP-3647311-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2020-05-06 — — EP 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
WO-2019001572-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF 北京泰德制药股份有限公司 2019-01-03 — — WO 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 (3 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 CHRNA7 2969/4885DHPS 2905/4885LMNA 1748/4885
US-11130749-B2 — ROCK1, RHOA, ROCK2 CHRNA7 2171/4885DHPS 3339/4885LMNA 1800/4885
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA CHRNA7 2969/4885DHPS 2905/4885LMNA 1748/4885

“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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