SCHEMBL7050708

SCHEMBL7050708

Cc1cc(N)nc(C(C)C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 13/20 1.00
NOS3 P29474 7/20 1.00
NOS1 P29475 7/20 1.00

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
SCHEMBL6662711 0.83 NOS2 (0.70) NOS2NOS3NOS1
SCHEMBL10264860 0.79 NOS2 (0.65) NOS2NOS3NOS1
SCHEMBL7769935 0.77 NOS2 (0.63) NOS2NOS3NOS1
SCHEMBL105871 0.77
SCHEMBL4547885 0.76 NOS2 (0.61) NOS2NOS3NOS1
SCHEMBL12015758 0.74 NOS2 (0.59) NOS2NOS3NOS1
SCHEMBL15980614 0.73 NOS3 (0.57) NOS2NOS3NOS1
SCHEMBL18611537 0.73 NOS3 (0.57) NOS2NOS3NOS1
SCHEMBL9228677 0.73 NOS2 (0.57) NOS2NOS3NOS1
SCHEMBL16282388 0.73 NOS3 (0.57) NOS2NOS3NOS1

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003013523-A1 SH3 PROTEIN DOMAINS AND THEIR LIGANDS ADELAIDE RESEARCH & INNOVATION PTY LTD (AU) 2003-02-20 WO claimed
US-5972975-A Substituted 2-aminopyridines as inhibitors of nitric oxide synthase MERCK & CO., INC. (US) 1999-10-26 US claimed
WO-1996018616-A1 SUBSTITUTED 2-AMINOPYRIDINES AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-06-20 WO claimed
EP-4041714-B1 BI-ARYL DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH INC (US) 2023-12-13 EP disclosed
WO-2021239058-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 劲方医药科技(上海)有限公司 2021-12-02 WO disclosed
US-20210355125-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2021-11-18 US disclosed
US-11091481-B2 Heterocyclic compounds, preparation and methods and uses thereof InventisBio Co., Ltd. (CN) 2021-08-17 US disclosed
US-20210198255-A1 HETEROCYCLIC COMPOUNDS, PREPARATION AND METHODS AND USES THEREOF InventisBio Co., Ltd. (CN) 2021-07-01 US disclosed
WO-2020233592-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS AND USES THEREOF INVENTISBIO SHANGHAI LTD. (CN) 2020-11-26 WO disclosed
EP-2802567-B1 PYRIDAZINE AMIDE COMPOUNDS AND THEIR USE AS SYK INHIBITORS HOFFMANN LA ROCHE (CH) 2017-03-01 EP disclosed
CN-104159891-B Pyridazine amide compound and they are as the purposes of SYK inhibitor 霍夫曼-拉罗奇有限公司 2016-09-07 CN disclosed
US-8901124-B2 Pyridazine amide compounds useful as SYK inhibitors HOFFMANN-LA ROCHE INC. (US) 2014-12-02 US disclosed
EP-2802567-A1 PYRIDAZINE AMIDE COMPOUNDS AND THEIR USE AS SYK INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-11-19 EP disclosed
CN-104159891-A Pyridazine amide compounds and their use as SYK inhibitors HOFFMANN LA ROCHE 2014-11-19 CN disclosed
WO-2013104573-A1 PYRIDAZINE AMIDE COMPOUNDS AND THEIR USE AS SYK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-07-18 WO disclosed
US-20130178478-A1 PYRIDAZINE AMIDE COMPOUNDS HOFFMAN-LA ROCHE INC. (US) 2013-07-11 US disclosed
WO-2003013523-A1 SH3 PROTEIN DOMAINS AND THEIR LIGANDS ADELAIDE RESEARCH & INNOVATION PTY LTD (AU) 2003-02-20 WO disclosed
US-5972975-A Substituted 2-aminopyridines as inhibitors of nitric oxide synthase MERCK & CO., INC. (US) 1999-10-26 US disclosed
WO-1996018616-A1 SUBSTITUTED 2-AMINOPYRIDINES AS INHIBITORS OF NITRIC OXIDE SYNTHASE MERCK & CO., INC. (US) 1996-06-20 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-11091481-B2 Heterocyclic compounds, preparation and methods and uses thereof KRAS, NRAS, HRAS NOS2 4520/4885NOS3 4605/4885NOS1 4458/4885
US-20130178478-A1 PYRIDAZINE AMIDE COMPOUNDS SYK, BTK, IRAK2 NOS2 618/4885NOS3 1138/4885NOS1 861/4885
US-20210355125-A1 HETEROCYCLIC COMPOUNDS, PREPARATION METHODS AND USES THEREOF KRAS, NRAS, HRAS NOS2 4365/4885NOS3 4496/4885NOS1 4279/4885
US-20210198255-A1 HETEROCYCLIC COMPOUNDS, PREPARATION AND METHODS AND USES THEREOF KRAS, NRAS, HRAS NOS2 4520/4885NOS3 4605/4885NOS1 4458/4885

“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.