SCHEMBL878217

SCHEMBL878217

Nc1ccc2c(cnn2C(=O)O)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.73
AURKA O14965 1/20 0.73
DAPK3 O43293 1/20 0.73
CSNK1A1 P48729 1/20 0.73
GSK3A P49840 1/20 0.73
LIMK1 P53667 1/20 0.73
IKBKE Q14164 1/20 0.73
MAPK14 Q16539 1/20 0.73
TAOK1 Q7L7X3 1/20 0.73
CLK4 Q9HAZ1 1/20 0.73
DYRK1B Q9Y463 1/20 0.73
HSP90AB1 P08238 1/20 0.56
SLC22A12 Q96S37 2/20 0.40
MAPT P10636 2/20 0.39
PIM3 Q86V86 1/20 0.38
BRPF1 P55201 2/20 0.38
KMT2A Q03164 1/20 0.37
KMO O15229 1/20 0.37
PRKCI P41743 1/20 0.37
SHMT2 P34897 2/20 0.36

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
SCHEMBL16109510 0.86 CHEK1 (0.55) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL10078940 0.81 CHEK1 (0.70) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL12060146 0.81 CHEK1 (0.66) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL31691580 0.81 CHEK1 (0.49) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL952561 0.79 CHEK1 (0.47) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL3638105 0.79 CHEK1 (0.47) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL30457321 0.79 CHEK1 (0.67) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL625971 0.77 TAOK1 (0.65) CHEK1AURKADAPK3CSNK1A1GSK3A
Fumaric Acid SCHEMBL530257 0.77 CHEK1 (0.60) CHEK1AURKADAPK3CSNK1A1GSK3A
Maleic Acid SCHEMBL530256 0.77 CHEK1 (0.60) CHEK1AURKADAPK3CSNK1A1GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210171520-A1 EP300/CREBBP INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2021-06-10 US disclosed
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX LLC (US) 2021-01-21 US disclosed
EP-3643703-A1 EP300/CREBBP INHIBITOR Daiichi Sankyo Co., Ltd. (JP) 2020-04-29 EP disclosed
US-10570123-B2 Pharmacokinetically improved compounds SURFACE LOGIX, LLC (US) 2020-02-25 US disclosed
CN-104822676-B Novel ROCK inhibitors PH制药有限公司 2019-11-05 CN 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-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. 2019-06-13 US disclosed
US-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX INC (US) 2018-03-15 US disclosed
US-9440961-B2 Rho-kinase inhibitors and method of preparation SURFACE LOGIX, INC. (US) 2016-09-13 US disclosed
US-20150344464-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS KADMON CORPORATION, LLC 2015-12-03 US disclosed
CN-1812973-B Indazole compounds useful as protein kinase inhibitors VERTEX PHARMA CO LTD 2010-12-22 CN disclosed
WO-2010104851-A1 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2010-09-16 WO disclosed
US-20100144707-A1 Pharmacokinetically improved compounds SURFACE LOGIX, LLC 2010-06-10 US disclosed
EP-2170865-A2 NOVEL SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF, AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2010-04-07 EP disclosed
WO-2009010660-A2 SUBSTITUTED INDAZOLES, THE PREPARATION THEREOF, AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2009-01-22 WO disclosed
WO-2008094909-A2 QUINAZOLINONE AND FUSED PYRIMIDINONE COMPOUNDS AND THEIR USE IN TREATING SODIUM CHANNEL-MEDIATED DISEASES OR CONDITIONS XENON PHARMACEUTICALS INC. (CA) 2008-08-07 WO disclosed
WO-2008054599-A2 RHO KINASE INHIBITORS SURFACE LOGIX, INC. (US) 2008-05-08 WO disclosed
EP-1865958-A2 PHARMACOKINETICALLY IMPROVED COMPOUNDS Surface Logix, Inc. (US) 2007-12-19 EP disclosed
WO-2006105081-A2 PHARMACOKINETICALLY IMPROVED COMPOUNDS SURFACE LOGIX, INC. (US) 2006-10-05 WO disclosed
CN-1812973-A Indazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICAL CO LTD (US) 2006-08-02 CN 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 (8 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-20180072710-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 CHEK1 1114/4885AURKA 1412/4885DAPK3 714/4885
US-20190177311-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 CHEK1 1114/4885AURKA 1412/4885DAPK3 714/4885
US-20150344464-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 CHEK1 1114/4885AURKA 1412/4885DAPK3 714/4885
US-20210017166-A1 PHARMACOKINETICALLY IMPROVED COMPOUNDS ROCK2, ROCK1, RHOT2 CHEK1 1114/4885AURKA 1412/4885DAPK3 714/4885
US-20210171520-A1 EP300/CREBBP INHIBITOR EP300, CREBBP, CREB1 CHEK1 2137/4885AURKA 1678/4885DAPK3 2040/4885
US-20100144707-A1 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 CHEK1 1114/4885AURKA 1412/4885DAPK3 714/4885
US-10570123-B2 Pharmacokinetically improved compounds ROCK2, ROCK1, RHOT2 CHEK1 1114/4885AURKA 1412/4885DAPK3 714/4885
US-20190276440-A1 RHO-ASSOCIATED PROTEIN KINASE INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND PREPARATION METHOD AND USE THEREOF ROCK1, ROCK2, RHOA CHEK1 2227/4885AURKA 1051/4885DAPK3 1025/4885

“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.