SCHEMBL444555

SCHEMBL444555

Nc1cc(-c2ccccc2)ns1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.48
ADORA1 P30542 4/20 0.48
ALDH1A1 P00352 5/20 0.45
ASIC3 Q9UHC3 3/20 0.44
ADORA3 P0DMS8 2/20 0.44
ADORA2B P29275 2/20 0.44
SMARCA2 P51531 1/20 0.44
SMARCA4 P51532 1/20 0.44
PBRM1 Q86U86 1/20 0.44
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HPGD P15428 2/20 0.42
LMNA P02545 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42

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
SCHEMBL3257385 0.81 MAPT (0.40) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL4878746 0.79 ADORA2A (0.47) ADORA2AADORA1ALDH1A1ADORA3ADORA2B
SCHEMBL11122524 0.79 RAB9A (0.48) ADORA2AADORA1ALDH1A1MEN1KMT2A
SCHEMBL11118103 0.79 SMN1; SMN2 (0.43) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL11126218 0.79 KDM4E (0.56) ADORA2AALDH1A1MEN1KMT2AMAPT
SCHEMBL9445903 0.79 CYP2A6 (0.51) ALDH1A1PBRM1MEN1KDM4ESMN1; SMN2
SCHEMBL11121270 0.79 IDO1 (0.45) ALDH1A1TDO2
SCHEMBL11124189 0.79 ALDH1A1 (0.47) ADORA2AADORA1ALDH1A1MEN1KMT2A
SCHEMBL28510819 0.76 RAB9A (0.46) ADORA2AADORA1ALDH1A1ASIC3ADORA3
SCHEMBL11122249 0.75 KDM4E (0.48) ALDH1A1KMT2AMAPTKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US claimed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US claimed
EP-4539840-A1 KINASE MODULATORS AND METHODS OF USE THEREOF Neuron23, Inc. (US) 2025-04-23 EP disclosed
CN-119730846-A Kinase modulators and methods of use thereof 神经元23公司 2025-03-28 CN disclosed
CN-116063241-B Synthesis process of 5-bromo-3-phenylisothiazole 上海予君生物科技发展有限公司 2024-11-15 CN disclosed
WO-2023244788-A9 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2024-09-12 WO disclosed
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF SUNDANCE BIOSCIENCES, INC. 2024-01-25 US disclosed
WO-2023244788-A1 KINASE MODULATORS AND METHODS OF USE THEREOF NEURON23, INC. (US) 2023-12-21 WO disclosed
CN-116063241-A Synthesis process of 5-bromo-3-phenylisothiazole 上海予君生物科技发展有限公司 2023-05-05 CN disclosed
CN-109641852-B Sulfonamides as GPR 40-and GPR 120-agonists 东佩制药股份公司 2022-08-26 CN disclosed
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 US disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 WO disclosed
US-4754022-A BLUE SHADES FOR POLYACRYLONITRILE FABRICS CIBA-GEIGY CORPORATION (US) 1988-06-28 US disclosed
US-4544752-A TREATMENT OF GOUT; ANTIARTHRITIC AGENTS ELI LILLY AND COMPANY (US) 1985-10-01 US disclosed
EP-0129407-A2 Improvements in and relating to (3-aryl-5-isothiazolyl)ureas ELI LILLY AND COMPANY (US) 1984-12-27 EP disclosed
EP-0048615-B1 IMPROVEMENTS IN OR RELATING TO 3-ARYL-5-ISOTHIAZOLE DERIVATIVES ELI LILLY AND COMPANY (US) 1984-05-30 EP disclosed
US-4346094-A ENZYME INHIBITORS ELI LILLY AND COMPANY (US) 1982-08-24 US disclosed
EP-0048615-A1 Improvements in or relating to 3-aryl-5-isothiazole derivatives ELI LILLY AND COMPANY (US) 1982-03-31 EP disclosed
US-4028323-A WITH A SUBSTITUTED AMINOBENZENE CIBA-GEIGY AG (CH) 1977-06-07 US disclosed
US-4006127-A Cationic diazacyanine dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-02-01 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 (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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK ADORA2A 3219/4885ADORA1 4406/4885ALDH1A1 4726/4885
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, CYB5R3 ADORA2A 4740/4885ADORA1 4715/4885ALDH1A1 782/4885
US-20240025906-A1 KINASE MODULATORS AND METHODS OF USE THEREOF TYK2, JAK1, JAK3 ADORA2A 2896/4885ADORA1 3943/4885ALDH1A1 4807/4885

“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.