SCHEMBL447261

SCHEMBL447261

O=c1[nH][nH]c(=O)n1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 5/20 1.00
GSK3B P49841 5/20 1.00
GAA P10253 1/20 1.00
MAPK1 P28482 1/20 0.50
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NTRK1 P04629 1/20 0.46
IGF1R P08069 1/20 0.46
FGFR1 P11362 1/20 0.46
NTRK3 Q16288 1/20 0.46
NTRK2 Q16620 1/20 0.46
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
BRD4 O60885 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL11619693 0.84 GSK3B (0.72) GSK3AGSK3BGAAMAPK1MEN1
SCHEMBL2337291 0.80 GSK3A (0.67) GSK3AGSK3BGAAMAPK1MEN1
SCHEMBL23257946 0.80 GSK3A (0.64) GSK3AGSK3BGAAMAPK1MEN1
SCHEMBL11711805 0.78 GSK3A (0.64) GSK3AGSK3BGAAMAPK1MEN1
SCHEMBL3022499 0.75 GSK3A (0.60) GSK3AGSK3BGAAMEN1KMT2A
SCHEMBL5328006 0.75 GSK3A (0.60) GSK3AGSK3BGAAMAPK1MEN1
SCHEMBL3021600 0.75 GSK3A (0.60) GSK3AGSK3BGAAKMT2AL3MBTL1
SCHEMBL11876869 0.75 GAA (0.60) GSK3AGSK3BGAAMAPK1MEN1
SCHEMBL5198556 0.75 NTRK1 (0.72) GSK3AGSK3BGAAMAPK1MEN1
SCHEMBL11363821 0.75 GSK3A (0.60) GSK3AGSK3BGAAMEN1KMT2A

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 1028 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260140108-A1 EXTRACTION ROD AND PREPARATION METHOD THEREOF, AND METHOD FOR DETECTING 25-HYDROXYVITAMIN D INNOVATION CENTER OF YANGTZE RIVER DELTA ZJU (CN) 2026-05-21 US claimed
US-12607640-B2 Mass spectrometry of steroidal compounds in multiplex samples QUEST DIAGNOSTICS INVESTMENTS INCORPORATED (US) 2026-04-21 US claimed
EP-4256347-B1 DETECTION OF AN ANALYTE OF INTEREST BY CROSS SPRAY ESI MASS SPECTROMETRY HOFFMANN LA ROCHE (CH) 2025-07-16 EP claimed
US-20250216404-A1 VITAMIN D METABOLITE DETERMINATION UTILIZING MASS SPECTROMETRY FOLLOWING DERIVATIZATION QUEST DIAGNOSTICS INVEST LLC (US) 2025-07-03 US claimed
US-12282032-B2 Vitamin D metabolite determination utilizing mass spectrometry following derivatization QUEST DIAGNOSTICS INVESTMENTS LLC (US) 2025-04-22 US claimed
US-20240361344-A1 METHODS FOR DETECTING DIHYDROXYVITAMIN D METABOLITES BY MASS SPECTROMETRY QUEST DIAGNOSTICS INVEST LLC (US) 2024-10-31 US claimed
EP-3524958-B1 METHODS FOR DETECTING DIHYDROXYVITAMIN D METABOLITES BY MASS SPECTROMETRY QUEST DIAGNOSTICS INVEST INC (US) 2024-09-25 EP claimed
US-12066446-B2 Methods for detecting dihydroxyvitamin D metabolites by mass spectrometry QUEST DIAGNOSTICS INVESTMENTS INCORPORATED (US) 2024-08-20 US claimed
CN-118090878-A Method for detecting fat-soluble vitamins in biological sample 中国科学技术大学 2024-05-28 CN claimed
US-20240103022-A1 VITAMIN D METABOLITE DETERMINATION UTILIZING MASS SPECTROMETRY FOLLOWING DERIVATIZATION QUEST DIAGNOSTICS INVEST LLC (US) 2024-03-28 US claimed
US-4539153-A Method of preparing 1 α-hydroxyvitamin D and 1 α-hydroxyprevitamin D compounds, and adducts of a previtamin D or tachysterol compound with a suitable dienophile DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1985-09-03 US claimed
EP-0070588-A1 Method of preparing 1-alpha-hydroxyvitamin D and 1-alpha-hydroxy-previtamin D compounds, and adduct of a previtamin D or tachysterol compound with a suitable dienophile DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1983-01-26 EP claimed
US-4217288-A Anti-vitamin D compounds WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1980-08-12 US claimed
US-4170707-A Method for preparing 3,8-dicarbomethoxy-2,3,7,8-tetraazaspiro[4.4]nona-1,6-diene THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1979-10-09 US claimed
US-4170706-A Method for preparing the bispicrate salt of 2,3,7,8-tetraazaspiro[4.4]nonane THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1979-10-09 US claimed
US-4125728-A Method for preparing 2,3,7,8-tetraazaspiro[4,4]nona-2,7-diene THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1978-11-14 US claimed
US-4105660-A Preparation of 3β-hydroxy-27-norcholest-5,7-dien-25-one MERCK & CO., INC. (US) 1978-08-08 US claimed
US-4088645-A O,O-Dialkylphosphoryloxy-2,3,5,8-tetrahydro-1H-s-triazolo[1,2a]pyridazine-1,3-diones HOFFMANN-LA ROCHE INC. (US) 1978-05-09 US claimed
US-4066833-A 2,3,7,8-Tetraazaspiro [4.4]nonane, 2,3,7,8-tetraazaspiro-[4.4]nona-2,7-diene and derivatives THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 1978-01-03 US claimed
US-3979320-A Liquid crystal composition HODOGAYA CHEMICAL CO., LTD. (JA) 1976-09-07 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-12607640-B2 Mass spectrometry of steroidal compounds in multiplex samples CYP24A1, CYP2R1, SRD5A1 GSK3A 719/4885GSK3B 788/4885GAA 4777/4885
US-20260140108-A1 EXTRACTION ROD AND PREPARATION METHOD THEREOF, AND METHOD FOR DETECTING 25-HYDROXYVITAMIN D VDR, CYP24A1, GC GSK3A 444/4885GSK3B 421/4885GAA 2683/4885

“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.