SCHEMBL170013

SCHEMBL170013

Nc1nc2c(s1)C(=O)CCC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 1.00
MAPK1 P28482 2/20 1.00
SMN1; SMN2 Q16637 4/20 0.53
PIK3CD O00329 1/20 0.49
PIK3CA P42336 1/20 0.49
PIK3CB P42338 1/20 0.49
PIK3CG P48736 1/20 0.49
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
GRM5 P41594 1/20 0.46
MAPT P10636 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
ATAD2 Q6PL18 1/20 0.39
ALOX15 P16050 2/20 0.34
HSD17B10 Q99714 2/20 0.34
MEN1 O00255 1/20 0.33
ACHE P22303 1/20 0.33

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
Bromide SCHEMBL3450128 0.98 ALDH1A1 (0.96) ALDH1A1MAPK1SMN1; SMN2PIK3CDPIK3CA
Hydrochloric Acid SCHEMBL30189955 0.98 ALDH1A1 (0.96) ALDH1A1MAPK1SMN1; SMN2PIK3CDPIK3CA
SCHEMBL691842 0.96 ALDH1A1 (0.92) ALDH1A1MAPK1SMN1; SMN2PIK3CDPIK3CA
SCHEMBL13125941 0.94 ALDH1A1 (0.89) ALDH1A1MAPK1SMN1; SMN2PIK3CDPIK3CA
SCHEMBL13125914 0.88 ALDH1A1 (0.78) ALDH1A1MAPK1SMN1; SMN2PIK3CDPIK3CA
SCHEMBL6862670 0.78 ALDH1A1 (0.63) ALDH1A1MAPK1SMN1; SMN2PIK3CDPIK3CA
SCHEMBL167247 0.76 ALDH1A1 (0.61) ALDH1A1MAPK1SMN1; SMN2PIK3CDPIK3CA
SCHEMBL2035154 0.76 ALDH1A1 (0.61) ALDH1A1MAPK1SMN1; SMN2PIK3CDPIK3CA
SCHEMBL2691499 0.74 ALDH1A1 (0.59) ALDH1A1MAPK1SMN1; SMN2PIK3CDPIK3CA
SCHEMBL12938269 0.74 ALDH1A1 (0.59) ALDH1A1MAPK1SMN1; SMN2APOBEC3AAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260138977-A1 MODULATORS OF BETA CATENIN AND USES THEREOF DEWPOINT THERAPEUTICS INC (US) 2026-05-21 US disclosed
US-12612396-B1 Modulators of beta catenin and uses thereof DEWPOINT THERAPEUTICS, INC. (US) 2026-04-28 US disclosed
US-12590090-B2 Pyrimidine-and nitrogen-containing bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2026-03-31 US disclosed
EP-4223750-B1 NITROGEN-CONTAINING BICYCLIC COMPOUNDS WHICH CONTAIN PYRIMIDINE AS INTERLEUKIN 1 RECEPTOR-ASSOCIATED KINASE 4 (IRAK-4) INHIBITORS TO BE USED IN THE TREATMENT OF INFLAMMATORY OR AUTOIMMUNE DISEASES ASAHI KASEI PHARMA CORP (JP) 2025-06-25 EP disclosed
CN-116194454-B Pyrimidine-containing nitrogen-containing bicyclic compounds 旭化成制药株式会社 2025-02-18 CN disclosed
CN-117946098-A Pyrimidine PLK1 inhibitor and preparation method and application thereof 上海深势唯思科技有限责任公司 2024-04-30 CN disclosed
US-20240025893-A1 PYRIMIDINE-AND NITROGEN-CONTAINING BICYCLIC COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2024-01-25 US disclosed
US-20240025893-A1 PYRIMIDINE-AND NITROGEN-CONTAINING BICYCLIC COMPOUND ASAHI KASEI PHARMA CORPORATION (JP) 2024-01-25 US disclosed
EP-4223750-A1 NITROGEN-CONTAINING BICYCLIC COMPOUND WHICH CONTAINS PYRIMIDINE Asahi Kasei Pharma Corporation (JP) 2023-08-09 EP disclosed
CN-116194454-A Pyrimidine-containing nitrogen-containing bicyclic compounds 旭化成制药株式会社 2023-05-30 CN disclosed
US-20030153568-A1 Benzothiazole derivatives BASF AKTIENGESELLSCHAFT LUDWIGSHAFEN, GERMANY 2003-08-14 US disclosed
EP-1287018-A2 THROMBIN INHIBITORS Lek Pharmaceutical and Chemical Co. D.D. (SI) 2003-03-05 EP disclosed
EP-1254123-A1 2-BENZOTHIAZOLYL UREA DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS Abbott GmbH & Co. KG (DE) 2002-11-06 EP disclosed
WO-2002047762-A1 SERINE PROTEASE INHIBITORS TULARIK LIMITED (GB) 2002-06-20 WO disclosed
EP-0843681-B1 HETEROCYCLE-FUSED THIAZOLE DERIVATIVES YUNGJIN PHARMACEUTICAL CO LTD (KR) 2002-03-06 EP disclosed
WO-2001085760-A1 THROMBIN INHIBITORS LEK PHARMACEUTICAL & CHEMICAL CO. DD (SI) 2001-11-15 WO disclosed
WO-2001057008-A1 2-BENZOTHIAZOLYL UREA DERIVATIVES AND THEIR USE AS PROTEIN KINASE INHIBITORS ABBOTT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG & COMPANY KOMMANDITGESELLSCHAFT (DE) 2001-08-09 WO disclosed
US-6043373-A ANTIULCER AGENT YUNGJIN PHARMACEUTICAL CO., LTD. (KR) 2000-03-28 US disclosed
EP-0843681-A1 HETEROCYCLE-FUSED THIAZOLE DERIVATIVES YUNGJIN PHARMACEUTICAL CO., LTD. (KR) 1998-05-27 EP disclosed
WO-1997003076-A1 HETEROCYCLE-FUSED THIAZOLE DERIVATIVES YUNGJIN PHARMACEUTICAL CO., LTD. (KR) 1997-01-30 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 (5 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-12612396-B1 Modulators of beta catenin and uses thereof CTNNB1, CTNND1, CTNNA1 ALDH1A1 3860/4885MAPK1 3934/4885SMN1; SMN2 1222/4885
US-20260138977-A1 MODULATORS OF BETA CATENIN AND USES THEREOF CTNNB1, CTNND1, CTNNA1 ALDH1A1 3860/4885MAPK1 3934/4885SMN1; SMN2 1222/4885
US-20240025893-A1 PYRIMIDINE-AND NITROGEN-CONTAINING BICYCLIC COMPOUND IRAK4, IRAK1, IRAK2 ALDH1A1 2898/4885MAPK1 128/4885SMN1; SMN2 1514/4885
US-20030153568-A1 Benzothiazole derivatives TK1, FLT1, CDK1 ALDH1A1 712/4885MAPK1 149/4885SMN1; SMN2 4285/4885
US-12590090-B2 Pyrimidine-and nitrogen-containing bicyclic compound IRAK1, IRAK4, IRAK2 ALDH1A1 3202/4885MAPK1 152/4885SMN1; SMN2 2936/4885

“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.