SCHEMBL2053700

SCHEMBL2053700

NC1CCCc2c1sc1ccc(-c3ccccc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.39
PIM3 Q86V86 2/20 0.38
CDC42 P60953 1/20 0.37
ROCK1 Q13464 1/20 0.34
F9 P00740 2/20 0.33
PIK3CA P42336 1/20 0.33
PI4KA P42356 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
PIM1 P11309 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
CTSD P07339 1/20 0.31
KDM1A O60341 3/20 0.31
MAOB P27338 1/20 0.31
HRH2 P25021 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
KDM1B Q8NB78 1/20 0.31

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
SCHEMBL18723557 0.84 HRH3 (0.39) LIMK1PIM3CDC42ROCK1PIM1
SCHEMBL2050369 0.81 CDC42 (0.42) LIMK1PIM3CDC42ROCK1PIM1
SCHEMBL19674274 0.74 PIM3 (0.49) LIMK1PIM3ROCK1F9PIK3CA
SCHEMBL2053422 0.69 CDK1 (0.40) LIMK1PIM3ROCK1PIM1PIM2
SCHEMBL29828944 0.68 LIMK1 (0.51) LIMK1PIM3ROCK1F9PIK3CA
SCHEMBL14296006 0.68 LIMK1 (0.51) LIMK1PIM3ROCK1F9PIK3CA
SCHEMBL3156901 0.68 LIMK1 (0.51) LIMK1PIM3ROCK1F9PIK3CA
SCHEMBL20880708 0.67 GPR3 (0.58) LIMK1PIM3ROCK1F9PIK3CA
SCHEMBL20821592 0.67 GPR3 (0.58) LIMK1PIM3ROCK1F9PIK3CA
SCHEMBL26820460 0.67 GPR3 (0.58) LIMK1PIM3ROCK1F9PIK3CA

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260034093-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUMITOMO PHARMA AMERICA, INC. (US) 2026-02-05 US disclosed
US-20240358675-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUMITOMO PHARMA AMERICA, INC. (US) 2024-10-31 US disclosed
EP-3252057-B1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2024-03-27 EP disclosed
US-20220387382-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2022-12-08 US disclosed
US-20220387382-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2022-12-08 US disclosed
US-20220062229-A1 METHODS OF TREATING SCHIZOPHRENIA SUNOVION PHARMACEUTICALS INC. (US) 2022-03-03 US disclosed
US-11129807-B2 Methods of treating schizophrenia SUNOVION PHARMACEUTICALS INC. (US) 2021-09-28 US disclosed
US-10894033-B2 Multicyclic compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2021-01-19 US disclosed
US-10894033-B2 Multicyclic compounds and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2021-01-19 US disclosed
US-20200323819-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2020-10-15 US disclosed
US-20140256712-A1 Multicyclic Compounds and Methods of Use Thereof PSYCHOGENICS INC. (US) 2014-09-11 US disclosed
US-8710245-B2 Multicyclic compounds and methods of use thereof PSYCHOGENICS INC. (US) 2014-04-29 US disclosed
US-8710245-B2 Multicyclic compounds and methods of use thereof PSYCHOGENICS INC. (US) 2014-04-29 US disclosed
US-8710245-B2 Multicyclic compounds and methods of use thereof PSYCHOGENICS INC. (US) 2014-04-29 US disclosed
US-20130109677-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF PSYCHOGENICS INC. (US) 2013-05-02 US disclosed
US-20130109677-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF PSYCHOGENICS INC. (US) 2013-05-02 US disclosed
US-20130109677-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF PSYCHOGENICS INC. (US) 2013-05-02 US disclosed
EP-2507245-A2 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2012-10-10 EP disclosed
WO-2011069063-A2 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS, INC. (US) 2011-06-09 WO disclosed
WO-2011069063-A2 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS, INC. (US) 2011-06-09 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 (9 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-20220387382-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF GRIN2C, NLN, COMT LIMK1 3562/4885PIM3 2455/4885CDC42 1511/4885
US-20200323819-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF GRIN2C, NLN, COMT LIMK1 3562/4885PIM3 2455/4885CDC42 1511/4885
US-20220062229-A1 METHODS OF TREATING SCHIZOPHRENIA CHAT, GAP43, GRIN2A LIMK1 3999/4885PIM3 4400/4885CDC42 515/4885
US-20240358675-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF GRIN2C, NLN, COMT LIMK1 3562/4885PIM3 2455/4885CDC42 1511/4885
US-10894033-B2 Multicyclic compounds and methods of use thereof GRIN2C, NLN, COMT LIMK1 3562/4885PIM3 2455/4885CDC42 1511/4885
US-20140256712-A1 Multicyclic Compounds and Methods of Use Thereof GRIN2C, NLN, COMT LIMK1 3562/4885PIM3 2455/4885CDC42 1511/4885
US-20130109677-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF GRIN2C, NLN, COMT LIMK1 3562/4885PIM3 2455/4885CDC42 1511/4885
US-20260034093-A1 MULTICYCLIC COMPOUNDS AND METHODS OF USE THEREOF SLC6A3, SLC6A11, SLC6A13 LIMK1 2247/4885PIM3 769/4885CDC42 2889/4885
US-11129807-B2 Methods of treating schizophrenia CHAT, GAP43, GRIN2A LIMK1 3999/4885PIM3 4400/4885CDC42 515/4885

“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.