SCHEMBL1596034

SCHEMBL1596034

COCCN1CCNCC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 4/20 0.36
CYP1A2 P05177 3/20 0.36
CASP1 P29466 3/20 0.36
CASP7 P55210 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CACNA2D1 P54289 3/20 0.34
ADORA2A P29274 2/20 0.33
ADORA2B P29275 2/20 0.33
ADORA1 P30542 2/20 0.33
P2RX7 Q99572 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PARP1 P09874 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
HIF1A Q16665 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31

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
Hydrochloric Acid SCHEMBL20745829 0.98 ALDH1A1 (0.36) ALDH1A1HPGDHSD17B10CYP1A2CASP1
SCHEMBL20528090 0.90 MGLL (0.33) ALDH1A1HPGDHSD17B10CYP1A2CASP1
SCHEMBL15432724 0.90 MGLL (0.33) ALDH1A1HPGDHSD17B10CYP1A2CASP1
SCHEMBL20793304 0.90 ACHE (0.36) ALDH1A1HPGDHSD17B10CYP1A2CASP1
SCHEMBL25045397 0.90 ALDH1A1 (0.36) ALDH1A1HPGDHSD17B10CYP1A2CASP1
Trifluoroacetic Acid SCHEMBL2352665 0.87 P2RX7 (0.39) ALDH1A1HPGDHSD17B10CYP1A2CASP1
SCHEMBL20793431 0.84 ALDH1A1 (0.39) ALDH1A1HPGDHSD17B10CYP1A2CASP1
SCHEMBL5337457 0.82 JAK2 (0.34) SMN1; SMN2JAK2JAK1TYK2JAK3
SCHEMBL1386657 0.81 ACHE (0.31)
SCHEMBL3432060 0.80 CSNK2A2 (0.31) SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115703765-B Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2025-02-28 CN disclosed
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2024-07-04 US disclosed
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME CHONG KUN DANG PHARMACEUTICAL CORP. (KR) 2024-07-04 US disclosed
EP-4392417-A1 KINASE MODULATORS, COMPOSITIONS COMPRISING THE KINASE MODULATOR, AND METHODS OF USING THE SAME BIOFRONT LTD (KY) 2024-07-03 EP disclosed
US-11660303-B2 2-phenylimidazo[4,5-b]pyridin-7-amine derivates useful as inhibitors of mammalian tyrosine kinase ROR1 activity KANCERA AB (SE) 2023-05-30 US disclosed
EP-3601297-B9 COMPOUNDS THAT INHIBIT MCL-1 PROTEIN AMGEN INC (US) 2023-05-24 EP disclosed
WO-2023023942-A1 HPK1 INHIBITORS, COMPOSITIONS COMPRISING HPK1 INHIBITOR, AND METHODS OF USING THE SAME BIOFRONT LTD (CAYMAN) (KY) 2023-03-02 WO disclosed
WO-2023025092-A1 KINASE MODULATORS, COMPOSITIONS COMPRISING THE KINASE MODULATOR, AND METHODS OF USING THE SAME BIOFRONT LTD (CAYMAN) (KY) 2023-03-02 WO disclosed
EP-4136084-A1 BCL-2 INHIBITOR BeiGene, Ltd. (KY) 2023-02-22 EP disclosed
CN-115703765-A Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2023-02-17 CN disclosed
US-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 US disclosed
US-7511062-B2 Substituted 2-quinolyl-oxazoles useful as PDE4 inhibitors SCHERING CORPORATION (US) 2009-03-31 US disclosed
US-20090082348-A1 INDAZOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-03-26 US disclosed
US-7470717-B2 Indazole derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-12-30 US disclosed
US-20070117856-A1 Indazole derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-24 US disclosed
EP-1652842-A1 INDAZOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-05-03 EP disclosed
EP-0882041-B1 PIPERAZINONEPHENYLOXAZOLIDINONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ASTRAZENECA AB (SE) 2003-03-26 EP disclosed
US-6069145-A AGAINST ANTIBIOTIC RESISTANT BACTERIA ZENECA LIMITED (GB) 2000-05-30 US disclosed
EP-0882041-A1 PIPERAZINONEPHENYLOXAZOLIDINONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS AstraZeneca AB (SE) 1998-12-09 EP disclosed
WO-1997027188-A1 PIPERAZINONEPHENYLOXAZOLIDINONE DERIVATIVES AND THEIR USE AS ANTIBACTERIAL AGENTS ZENECA LIMITED (GB) 1997-07-31 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 (4 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-20070117856-A1 Indazole derivatives IGF1R, NR0B2, ADRA2B ALDH1A1 1193/4885HPGD 3653/4885HSD17B10 652/4885
US-20090082348-A1 INDAZOLE DERIVATIVES IGF1R, NR0B2, ADRA2B ALDH1A1 1193/4885HPGD 3653/4885HSD17B10 652/4885
US-20240217978-A1 COMPOUND AS ADENOSINE A2a RECEPTOR ANTAGONIST AND PHARMACEUTICAL COMPOSITION COMPRISING SAME ADORA2A, ADORA1, ADORA2B ALDH1A1 368/4885HPGD 2234/4885HSD17B10 2827/4885
US-11660303-B2 2-phenylimidazo[4,5-b]pyridin-7-amine derivates useful as inhibitors of mammalian tyrosine kinase ROR1 activity ROR1, RORB, RORA ALDH1A1 245/4885HPGD 3591/4885HSD17B10 1976/4885

“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.