SCHEMBL4021798

SCHEMBL4021798

Nc1ccc(-c2nccs2)cn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.55
CYP2A6 P11509 1/20 0.55
PDPK1 O15530 1/20 0.52
CHEK2 O96017 1/20 0.48
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
ADRB2 P07550 1/20 0.46
PIK3CD O00329 2/20 0.46
HSP90AA1 P07900 1/20 0.44
DYRK1A Q13627 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
MAP4K4 O95819 1/20 0.42
TSHR P16473 1/20 0.41
NOS1 P29475 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL8236870 0.82 CHEK2 (0.50) LOXL2CYP2A6PDPK1CHEK2ADRB2
SCHEMBL2816869 0.82 CHEK2 (0.50) LOXL2CYP2A6PDPK1CHEK2ADRB2
SCHEMBL13838534 0.81 LOXL2 (0.44) LOXL2CYP2A6PDPK1CHEK2ADRB2
SCHEMBL15793096 0.81 LOXL2 (0.44) LOXL2CYP2A6PDPK1CHEK2ADRB2
SCHEMBL15793094 0.81 LOXL2 (0.44) LOXL2CYP2A6PDPK1CHEK2ADRB2
SCHEMBL722198 0.79 PDPK1 (0.77) LOXL2CYP2A6PDPK1CHEK2RAB9A
SCHEMBL3885226 0.78 LOXL2 (0.66) LOXL2CYP2A6PDPK1CHEK2NPC1
SCHEMBL23832336 0.77 CYP2A6 (0.55) LOXL2CYP2A6PDPK1CHEK2NPC1
SCHEMBL12490013 0.77 CYP2A6 (0.59) LOXL2CYP2A6PDPK1CHEK2ADRB2
SCHEMBL14814093 0.77 CYP2A6 (0.55) LOXL2CYP2A6PDPK1CHEK2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12559495-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2026-02-24 US disclosed
CN-118434744-A Nitrogen-containing macrocyclic compound, and preparation method and medical application thereof 中国医药研究开发中心有限公司 2024-08-02 CN disclosed
WO-2024046512-A2 NITROGEN-CONTAINING MACROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 中国医药研究开发中心有限公司 2024-03-07 WO disclosed
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-06-08 US disclosed
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-06-08 US disclosed
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-06-08 US disclosed
US-11555037-B2 Purine diones as Wnt pathway modulators AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2023-01-17 US disclosed
CN-109415358-B 6-aminopyridin-3-ylthiazoles as ROR gamma t modulators 詹森药业有限公司 2022-04-05 CN disclosed
CN-109415358-B 6-aminopyridin-3-ylthiazoles as ROR gamma t modulators 詹森药业有限公司 2022-04-05 CN disclosed
EP-3448856-B1 6-AMINOPYRIDIN-3-YL THIAZOLES AS MODULATORS OF ROR GAMMA T JANSSEN PHARMACEUTICA NV (BE) 2022-01-05 EP disclosed
EP-2999699-A1 PURINE DIONES AS WNT PATHWAY MODULATORS Agency For Science, Technology And Research (SG) 2016-03-30 EP disclosed
CN-105452248-A Purine diones as WNT pathway modulators AGENCY SCIENCE TECH & RES 2016-03-30 CN disclosed
WO-2015187094-A1 PHTHALIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-12-10 WO disclosed
WO-2015187094-A1 PHTHALIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-12-10 WO disclosed
WO-2015094118-A1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-06-25 WO disclosed
WO-2015094118-A1 MALEIMIDE DERIVATIVES AS MODULATORS OF WNT PATHWAY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-06-25 WO disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
US-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists GLAXO GROUP LIMITED (GB) 2009-08-13 US disclosed
WO-2009095377-A1 SPIRO COMPOUNDS AS NPY Y5 RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2009-08-06 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-20090203705-A1 Spiro Compounds As NPY Y5 Receptor Antagonists NPY4R, NPY1R, NPY5R LOXL2 1471/4885CYP2A6 1366/4885PDPK1 3626/4885
US-11555037-B2 Purine diones as Wnt pathway modulators WNT1, WNT3A, WNT3 LOXL2 2830/4885CYP2A6 527/4885PDPK1 422/4885
US-20230174533-A1 PURINE DIONES AS WNT PATHWAY MODULATORS WNT1, WNT3A, WNT3 LOXL2 2830/4885CYP2A6 527/4885PDPK1 422/4885
US-12559495-B2 Purine diones as Wnt pathway modulators WNT1, CTNND1, WNT3A LOXL2 2361/4885CYP2A6 896/4885PDPK1 502/4885

“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.