SCHEMBL10130655

SCHEMBL10130655

CC(C)Cc1cccc(N)n1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 7/20 0.53
NOS1 P29475 5/20 0.53
NOS3 P29474 4/20 0.53
CPB2 Q96IY4 1/20 0.43
IDH1 O75874 2/20 0.42
BACE1 P56817 4/20 0.42
APP P05067 1/20 0.42
TLR7 Q9NYK1 1/20 0.40
XIAP P98170 1/20 0.39
BIRC2 Q13490 1/20 0.39
MCHR1 Q99705 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38

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
SCHEMBL13615803 0.89 IDH1 (0.49) NOS2NOS1NOS3CPB2IDH1
SCHEMBL25704810 0.85 CPB2 (0.40) NOS2NOS1NOS3CPB2IDH1
SCHEMBL3625374 0.84 GABRA1 (0.44) NOS2NOS1NOS3TLR7GABRA1
SCHEMBL13040616 0.84 NOS2 (0.58) NOS2NOS1NOS3CPB2IDH1
SCHEMBL23153083 0.82 MCHR1 (0.44) NOS2NOS1NOS3CPB2IDH1
SCHEMBL11391327 0.80 NOS2 (0.56) NOS2NOS1NOS3IDH1BACE1
SCHEMBL15651026 0.80 CPB2 (0.39) NOS2NOS1NOS3CPB2IDH1
SCHEMBL12641681 0.77 KCNH2 (0.41) NOS2NOS1NOS3TLR7GABRA1
SCHEMBL2614966 0.77 KDM4E (0.46) NOS2NOS1NOS3GABRA1GABRB2
SCHEMBL7914665 0.76 MCHR1 (0.39) NOS2NOS1NOS3CPB2BACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024054972-A2 RADIONUCLIDE COMPOSITION AND METHOD OF USING SAME FOR DETECTION OF TUMOR CELLS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2024-03-14 WO disclosed
CN-113614087-B WEE1 inhibitor and preparation and application thereof 首药控股(北京)股份有限公司 2023-06-02 CN disclosed
US-20220194960-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF Shouyao Holdings (beijing) Co., Ltd. (CN) 2022-06-23 US disclosed
EP-3943496-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF Shouyao Holdings (Beijing) Co., Ltd. (CN) 2022-01-26 EP disclosed
EP-3943496-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF Shouyao Holdings (Beijing) Co., Ltd. (CN) 2022-01-26 EP disclosed
US-20210346353-A1 CD73 INHIBITORS ARCUS BIOSCIENCES, INC. 2021-11-11 US disclosed
CN-113614087-A WEE1 inhibitor, and preparation and application thereof 首药控股(北京)股份有限公司 2021-11-05 CN disclosed
US-10960088-B2 Macrocycles, cobalt and iron complexes of same, and methods of making and using same THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2021-03-30 US disclosed
WO-2020192581-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF 首药控股(北京)有限公司 2020-10-01 WO disclosed
WO-2020192581-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF 首药控股(北京)有限公司 2020-10-01 WO disclosed
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES ENANTA PHARMACEUTICALS, INC. 2008-05-22 US disclosed
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-7312201-B2 Tetracyclic bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2007-12-25 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
US-20070244160-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2007-10-18 US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-7273853-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-09-25 US disclosed
US-7229972-B2 Semisynthetic trimethylenedioxy-erythromycin derivatives and their use in treating bacterial infections and cystic fibrosis; preparation ENANTA PHARMACEUTICALS, INC. (US) 2007-06-12 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 US disclosed
US-7189704-B2 6-11 bicyclic ketolide derivatives ENANTA PHARMACEUTICALS, INC. (US) 2007-03-13 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 (7 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-20070244160-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 NOS2 1291/4885NOS1 1244/4885NOS3 1409/4885
US-20080119418-A1 C-9 ALKENYLIDINE BRIDGED MACROLIDES CYP2C9, CCR9, DPP9 NOS2 1681/4885NOS1 2517/4885NOS3 1721/4885
US-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 NOS2 1543/4885NOS1 2008/4885NOS3 2072/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 NOS2 1544/4885NOS1 2014/4885NOS3 735/4885
US-20220194960-A1 WEE1 INHIBITOR AND PREPARATION AND USE THEREOF WEE1, WEE2, RCE1 NOS2 3475/4885NOS1 2595/4885NOS3 3669/4885
US-10960088-B2 Macrocycles, cobalt and iron complexes of same, and methods of making and using same ABCB7, FECH, CYC1 NOS2 164/4885NOS1 243/4885NOS3 221/4885
US-20210346353-A1 CD73 INHIBITORS ENTPD5, ENTPD1, NT5E NOS2 1536/4885NOS1 1039/4885NOS3 1297/4885

“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.