SCHEMBL3559531

SCHEMBL3559531

Cc1noc(N)c1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
GAA P10253 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 4/20 0.38
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
HPGD P15428 3/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BRD4 O60885 1/20 0.37
TDO2 P48775 1/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 3/20 0.35
ACACB O00763 1/20 0.34

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
SCHEMBL938250 0.83 CYP1A2 (0.49) POLBCYP1A2CYP2C9GAARAB9A
SCHEMBL3055365 0.81 CYP1A2 (0.47) POLBCYP1A2CYP2C9GAARAB9A
SCHEMBL352276 0.80 GAA (0.53) POLBGAAMEN1KMT2AHSD17B10
Hydrochloric Acid SCHEMBL5009791 0.78 GAA (0.51) POLBGAAMEN1KMT2AHSD17B10
SCHEMBL5150367 0.78 CYP1A2 (0.45) POLBCYP1A2CYP2C9GAARAB9A
SCHEMBL19240419 0.78 POLB (0.46) POLBCYP1A2CYP2C9GAARAB9A
SCHEMBL14072051 0.76 POLB (0.34) POLBCYP1A2CYP2C9GAARAB9A
SCHEMBL15525136 0.75 ALDH1A1 (0.55) POLBCYP1A2CYP2C9GAARAB9A
SCHEMBL6612159 0.74 POLB (0.46) POLBCYP1A2CYP2C9GAAMEN1
SCHEMBL28541453 0.74 CYP1A2 (0.46) POLBCYP1A2CYP2C9GAARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117980293-A Hydroxamic acid compound with ENPP1 inhibitory activity and application thereof 上海海和药物研究开发股份有限公司 2024-05-03 CN disclosed
WO-2023036289-A1 HYDROXAMIC ACID COMPOUND HAVING ENPP1 INHIBITORY ACTIVITY AND USE THEREOF 上海海和药物研究开发股份有限公司 2023-03-16 WO disclosed
CN-1780835-B Novel fused heterocycles and uses thereof ASTRAZENECA AB 2010-06-09 CN disclosed
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
US-7713966-B2 Heterobicyclic metalloprotease inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-05-11 US disclosed
EP-1781673-B1 SELECTED FUSED HETEROCYCLICS AND USES THEREOF ASTRAZENECA AB (SE) 2009-10-21 EP disclosed
EP-2094671-A1 HETEROBICYCLIC METALLOPROTEASE INHIBITORS Alantos Pharmaceuticals Holding, Inc. (US) 2009-09-02 EP disclosed
EP-1601673-B1 FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2009-06-10 EP disclosed
US-20090099210-A1 ENANTIOMERS OF SELECTED FUSED HETEROCYCLICS AND USES THEREOF ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20090099210-A1 ENANTIOMERS OF SELECTED FUSED HETEROCYCLICS AND USES THEREOF ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-20060270689-A1 Novel Fused Heterocycles and Uses Thereof ASTRAZENECA AB (SE) 2006-11-30 US disclosed
CN-1780835-A Novel fused heterocycles and uses thereof. ASTRAZENECA AB (SE) 2006-05-31 CN disclosed
US-20060063751-A1 Novel fused heterocycles and uses thereof ASTRAZENECA AB (SE) 2006-03-23 US disclosed
US-20060041128-A1 Selected fused heterocyclics and uses thereof ASTRAZENECA AB (SE) 2006-02-23 US disclosed
WO-2006018627-A1 SELECTED FUSED HETEROCYCLICS AND USES THEREOF ASTRAZENECA AB (SE) 2006-02-23 WO disclosed
WO-2006018628-A1 ENANTIOMERS OF SELECTED FUSED PYRIMIDONES AND USES IN THE TREATMENT AND PREVENTI ON OF CANCER ASTRAZENECA AB (SE) 2006-02-23 WO disclosed
US-20060041129-A1 Enantiomers of selected fused heterocyclics and uses thereof ASTRAZENECA AB (SE) 2006-02-23 US disclosed
EP-1601673-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF AstraZeneca AB (SE) 2005-12-07 EP disclosed
WO-2004078758-A1 NOVEL FUSED HETEROCYCLES AND USES THEREOF ASTRAZENECA AB (SE) 2004-09-16 WO disclosed
US-4189483-A FUNGICIDE, INSECTICIDES, BACTERICIDES, MITICIDES, FOR PLANTS IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1980-02-19 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 (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-20060063751-A1 Novel fused heterocycles and uses thereof RB1, CDK19, PRMT9 POLB 2413/4885CYP1A2 416/4885CYP2C9 40/4885
US-20060041128-A1 Selected fused heterocyclics and uses thereof SDHA, CYP11B2, NQO1 POLB 1010/4885CYP1A2 37/4885CYP2C9 87/4885
US-20090099210-A1 ENANTIOMERS OF SELECTED FUSED HETEROCYCLICS AND USES THEREOF CYP11B2, HCCS, CYP11B1 POLB 1155/4885CYP1A2 15/4885CYP2C9 36/4885
US-20060041129-A1 Enantiomers of selected fused heterocyclics and uses thereof CYP11B2, HCCS, CYP11B1 POLB 1155/4885CYP1A2 15/4885CYP2C9 36/4885
US-20060270689-A1 Novel Fused Heterocycles and Uses Thereof BRCA1, CYP1B1, CCNI POLB 1916/4885CYP1A2 46/4885CYP2C9 4/4885

“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.