SCHEMBL4330004

SCHEMBL4330004

Cc1nc(N)c(S)c(N)n1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.33
LMNA P02545 2/20 0.31
ADORA1 P30542 3/20 0.31
ADORA2A P29274 2/20 0.31
ADORA3 P0DMS8 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL10954666 0.82
SCHEMBL7087209 0.82 PDE10A (0.35) ADORA1ADORA2AADORA3HTTSMN1; SMN2
SCHEMBL2371337 0.80 LMNA (0.39) HSP90AB1LMNAADORA1ADORA2AADORA3
SCHEMBL8721097 0.78 CCNA2 (0.33) LMNA
SCHEMBL8003108 0.75 HSP90AB1 (0.30) HSP90AB1
SCHEMBL6424033 0.73 HSP90AB1 (0.36) HSP90AB1LMNAADORA1ADORA2AADORA3
SCHEMBL1830380 0.73 LMNA (0.40) HSP90AB1LMNAHTTSMN1; SMN2
SCHEMBL16094459 0.71 ADORA1 (0.39) HSP90AB1LMNAADORA1ADORA2AADORA3
SCHEMBL5561175 0.71 ALDH1A1 (0.31) HSP90AB1SMN1; SMN2
Hydrochloric Acid SCHEMBL5555790 0.69 ALDH1A1 (0.31) HSP90AB1SMN1; SMN2

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116116048-B Preparation and use methods of ultrafiltration column 杭州信海医药科技有限公司 2023-07-14 CN claimed
CN-116116048-A Preparation and use methods of ultrafiltration column 杭州信海医药科技有限公司 2023-05-16 CN claimed
CN-106243104-A One is to naphthoquinone and pyrimidine heterozygote and synthetic method thereof 新乡医学院 2016-12-21 CN claimed
US-6063895-A BIODEGRADABLE, HEAT RESISTANT HIGH MOLECULAR WEIGHT POLYESTER (CO)POLYMER RESULTING FROM REACTION OF ADIPIC ACID, AMINE-FUNCTIONAL MONOMER, AND ETHYLENE GLYCOL AND/OR 1,4-BUTANEDIOL; MOLDING MATERIALS IRE CHEMICAL LTD. (KR) 2000-05-16 US claimed
CN-116116048-B Preparation and use methods of ultrafiltration column 杭州信海医药科技有限公司 2023-07-14 CN disclosed
CN-116116048-B Preparation and use methods of ultrafiltration column 杭州信海医药科技有限公司 2023-07-14 CN disclosed
CN-116116048-A Preparation and use methods of ultrafiltration column 杭州信海医药科技有限公司 2023-05-16 CN disclosed
CN-116116048-A Preparation and use methods of ultrafiltration column 杭州信海医药科技有限公司 2023-05-16 CN disclosed
CN-106243104-A One is to naphthoquinone and pyrimidine heterozygote and synthetic method thereof 新乡医学院 2016-12-21 CN disclosed
US-20090297795-A1 Ink-Jet Printing Using Disazo Dyes FUJIFILM IMAGING COLORANTS LIMITED (GB) 2009-12-03 US disclosed
US-6919339-B2 ABCA-1 elevating compounds CV THEAPEUTICS, INC. (US) 2005-07-19 US disclosed
EP-1341773-A2 SUBSTITUTED 1,3,5-TRIAZINES AND PYRIMIDINES AS ABCA-1 ELEVATING COMPOUNDS AGAINST CORONARY ARTERY DISEASE OR ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2003-09-10 EP disclosed
US-20020128266-A1 ABCA-1 elevating compounds CV THERAPEUTICS, INC. 2002-09-12 US disclosed
WO-2002046172-A2 SUBSTITUTED 1, 3, 5-TRIAZINES AND PYRIMIDINES AS ABCA-1 ELEVATING COMPOUNDS AGAINST CORONARY ARTERY DISEASE OR ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2002-06-13 WO disclosed
US-6063895-A BIODEGRADABLE, HEAT RESISTANT HIGH MOLECULAR WEIGHT POLYESTER (CO)POLYMER RESULTING FROM REACTION OF ADIPIC ACID, AMINE-FUNCTIONAL MONOMER, AND ETHYLENE GLYCOL AND/OR 1,4-BUTANEDIOL; MOLDING MATERIALS IRE CHEMICAL LTD. (KR) 2000-05-16 US disclosed
US-5213972-A Production of thymidine and deoxyuridine, intermediates for AZT CHEMGEN CORPORATION (US) 1993-05-25 US disclosed
EP-0504279-A4 FERMENTATION PROCESS FOR THE PRODUCTION OF PYRIMIDINE DEOXYRIBONUCLEOSIDES 1993-02-17 EP disclosed
EP-0504279-A1 FERMENTATION PROCESS FOR THE PRODUCTION OF PYRIMIDINE DEOXYRIBONUCLEOSIDES. CHEMGEN CORP (US) 1992-09-23 EP disclosed
WO-1991009130-A1 FERMENTATION PROCESS FOR THE PRODUCTION OF PYRIMIDINE DEOXYRIBONUCLEOSIDES CHEMGEN CORPORATION (US) 1991-06-27 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 (1 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-20020128266-A1 ABCA-1 elevating compounds ABCD3, ABCE1, ABCB4 HSP90AB1 1191/4885LMNA 1603/4885ADORA1 247/4885

“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.