SCHEMBL600231

SCHEMBL600231

CC(=O)n1ncc2cc(Cl)ncc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.54
AURKA O14965 1/20 0.54
DAPK3 O43293 1/20 0.54
CSNK1A1 P48729 1/20 0.54
GSK3A P49840 1/20 0.54
LIMK1 P53667 1/20 0.54
IKBKE Q14164 1/20 0.54
MAPK14 Q16539 1/20 0.54
TAOK1 Q7L7X3 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
DYRK1B Q9Y463 1/20 0.54
SLC22A12 Q96S37 2/20 0.39
CREBBP Q92793 1/20 0.38
CCR9 P51686 2/20 0.38
KMT2A Q03164 2/20 0.36
SHMT2 P34897 2/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL29545233 1.00 CHEK1 (0.54) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL17847964 0.85 CCR9 (0.39) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL27856881 0.83 CCR9 (0.38) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL7214066 0.81 CHEK1 (0.55) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL4143895 0.80 CHEK1 (0.54) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL17848025 0.79 ROCK2 (0.44) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL17847998 0.79 MAPK1 (0.53) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL19780078 0.78 CHEK1 (0.51) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL7213866 0.76 CHEK1 (0.50) CHEK1AURKADAPK3CSNK1A1GSK3A
SCHEMBL16339834 0.74 CHEK1 (0.63) 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12139497-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2024-11-12 US disclosed
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 US disclosed
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 US disclosed
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-09-14 US disclosed
EP-3340981-B1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS INC (US) 2022-10-12 EP disclosed
EP-4053117-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS Achillion Pharmaceuticals, Inc. (US) 2022-09-07 EP disclosed
CN-114044800-A Aryl, heteroaryl and heterocyclic compounds for the treatment of medical disorders 艾其林医药公司 2022-02-15 CN disclosed
US-10822352-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-11-03 US disclosed
US-10822352-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2020-11-03 US disclosed
EP-3280419-B1 INDAZOLE AND AZAINDAZOLE BTK INHIBITORS MERCK SHARP & DOHME (US) 2019-10-30 EP disclosed
US-10011612-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-07-03 US disclosed
US-20180127411-A1 INDAZOLE AND AZAINDAZOLE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-10 US disclosed
EP-3280419-A1 INDAZOLE AND AZAINDAZOLE BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-02-14 EP disclosed
US-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-09 US disclosed
US-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-09 US disclosed
US-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-03-09 US disclosed
WO-2016164285-A1 INDAZOLE AND AZAINDAZOLE BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-10-13 WO disclosed
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS SUNESIS PHARMACEUTICALS, INC. 2012-02-16 US disclosed
EP-2379513-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-10-26 EP disclosed
WO-2010078408-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BIOGEN IDEC MA INC. (US) 2010-07-08 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 (7 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-20180127411-A1 INDAZOLE AND AZAINDAZOLE BTK INHIBITORS BTK, SYK, ABL1 CHEK1 533/4885AURKA 840/4885DAPK3 323/4885
US-10822352-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 CHEK1 3169/4885AURKA 3180/4885DAPK3 4018/4885
US-20170066783-A1 Aryl, Heteroaryl, and Heterocyclic Compounds for Treatment of Medical Disorders CFD, F12, F3 CHEK1 3169/4885AURKA 3180/4885DAPK3 4018/4885
US-20230287005-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, F12, F3 CHEK1 3270/4885AURKA 3328/4885DAPK3 4126/4885
US-10011612-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 CHEK1 3169/4885AURKA 3180/4885DAPK3 4018/4885
US-20120040951-A1 HETEROARYL COMPOUNDS USEFUL AS RAF KINASE INHIBITORS BRAF, RAF1, ARAF CHEK1 160/4885AURKA 680/4885DAPK3 162/4885
US-12139497-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 CHEK1 3169/4885AURKA 3180/4885DAPK3 4018/4885

“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.