SCHEMBL4915813

SCHEMBL4915813

CNc1cc(C)nc(C)n1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.60
▸ NOS2 P35228 1/20 0.60
▸ ALOX15 P16050 1/20 0.48
▸ POLB P06746 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ PDE4A P27815 1/20 0.43
▸ AGO2 Q9UKV8 1/20 0.43
▸ AKR1C3 P42330 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TP53 P04637 1/20 0.36
▸ NUDT1 P36639 1/20 0.36

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
SCHEMBL17812892 0.87 NOS3 (0.54) NOS3NOS2ALOX15POLBGAA
SCHEMBL2722102 0.78 PDE4A (0.46) NOS3NOS2POLBGAAALDH1A1
SCHEMBL12499637 0.78 NOS3 (0.58) NOS3NOS2ALOX15POLBGAA
SCHEMBL16219598 0.78 GAA (0.42) NOS3NOS2POLBGAAALDH1A1
SCHEMBL23867545 0.78 MAPT (0.59) POLBGAAALDH1A1AKR1C3KDM4E
SCHEMBL3474098 0.76 NOS3 (0.56) NOS3NOS2ALOX15POLBALDH1A1
SCHEMBL3711167 0.76 MEN1 (0.47) NOS3NOS2ALOX15POLBGAA
SCHEMBL22556734 0.76 NOS3 (0.56) NOS3NOS2ALOX15POLBGAA
SCHEMBL12639130 0.76 NUDT1 (0.57) NOS3NOS2ALOX15GAAMAPT
SCHEMBL16840718 0.76 NOS3 (0.45) NOS3NOS2ALOX15NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024127363-A1 TYK2 PSEUDOKINASE LIGANDS AND USES THEREOF ALEMBIC PHARMACEUTICALS LIMITED (IN) 2024-06-20 — — WO disclosed
WO-2023081840-A1 KRAS G12C INHIBITORS FRONTIER MEDICINES CORPORATION (US) 2023-05-11 — — WO disclosed
WO-2022136914-A1 TYK2 INHIBITORS AND USES THEREOF SUDO BIOSCIENCES LIMITED (GB) 2022-06-30 — — WO disclosed
US-20210276960-A1 INHIBITORS OF TISSUE TRANSGLUTAMINASE 2 (TG2) AND USES THEREOF NORTHWESTERN UNIVERSITY 2021-09-09 — — US disclosed
US-20210253554-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2021-08-19 — — US disclosed
WO-2020035065-A1 PYRAZOLE DERIVATIVE AS RET INHIBITOR 南京明德新药研发有限公司 2020-02-20 — — WO disclosed
EP-2736887-B1 HYDRAZIDE CONTAINING NUCLEAR TRANSPORT MODULATORS AND USES THEREOF KARYOPHARM THERAPEUTICS INC (US) 2017-10-18 — — EP disclosed
US-9315494-B2 Alkyl-amide-substituted pyridyl compounds useful as modulators of IL-12, IL-23 and/or IFNα responses BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-19 — — US disclosed
US-9315494-B2 Alkyl-amide-substituted pyridyl compounds useful as modulators of IL-12, IL-23 and/or IFNα responses BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-19 — — US disclosed
US-20150307483-A1 ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2015-10-29 — — US disclosed
US-20100267008-A1 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS CARNEGIE MELLON UNIVERSITY (US) 2010-10-21 — — US disclosed
EP-2198867-A1 Pyrimidine-based compounds useful as GSK-3 inhibitors Vertex Pharmaceuticals, Inc. (US) 2010-06-23 — — EP disclosed
US-7691853-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-06 — — US disclosed
US-7625917-B2 S-o-(phenylaminocarbonyl)phenyl-substituted, especially with a quaternary onium group; enhanced antiviral activity and better reactivity with zinc finger moieties, particularly, the zinc finger on HIV-1's NCp7 nucleocapsid protein TURPIN JAMES A 2009-12-01 — — US disclosed
US-7625917-B2 S-o-(phenylaminocarbonyl)phenyl-substituted, especially with a quaternary onium group; enhanced antiviral activity and better reactivity with zinc finger moieties, particularly, the zinc finger on HIV-1's NCp7 nucleocapsid protein TURPIN JAMES A 2009-12-01 — — US disclosed
US-20080293674-A1 Azinyl Imidazoazine and Azinyl Carboxamide BAYER CROPSCIENCE AG (DE) 2008-11-27 — — US disclosed
US-7390815-B2 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-06-24 — — US disclosed
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2007-11-22 — — US disclosed
EP-1751152-A2 AZINYL IMIDAZOAZINE AND AZINYL CARBOXAMIDE Bayer CropScience Aktiengesellschaft (DE) 2007-02-14 — — EP disclosed
WO-2005113553-A2 AZINYL IMIDAZOAZINE AND AZINYL CARBOXAMIDE BAYER CROPSCIENCE AG (DE) 2005-12-01 — — 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 (6 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-20080293674-A1 Azinyl Imidazoazine and Azinyl Carboxamide AZI2, NISCH, ZYX NOS3 543/4885NOS2 181/4885ALOX15 3244/4885
US-20150307483-A1 ALKYL-AMIDE-SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, TYK2, IFNAR1 NOS3 945/4885NOS2 1017/4885ALOX15 2287/4885
US-20210253554-A1 SULFONE PYRIDINE ALKYL AMIDE-SUBSTITUTED HETEROARYL COMPOUNDS TYK2, JAK3, JAK2 NOS3 1010/4885NOS2 1207/4885ALOX15 3208/4885
US-20100267008-A1 CHIRAL INDOLE INTERMEDIATES AND THEIR FLUORESCENT CYANINE DYES CONTAINING FUNCTIONAL GROUPS IDO1, IDO2, INMT NOS3 226/4885NOS2 389/4885ALOX15 4174/4885
US-20070270444-A1 Pyrazole compounds useful as protein kinase inhibitors GSK3B, CDK3, GSK3A NOS3 715/4885NOS2 1597/4885ALOX15 3848/4885
US-20210276960-A1 INHIBITORS OF TISSUE TRANSGLUTAMINASE 2 (TG2) AND USES THEREOF TGM2, TGM3, TGM6 NOS3 1914/4885NOS2 1026/4885ALOX15 1360/4885

“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.

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