SCHEMBL2108200

SCHEMBL2108200

Cc1cccnc1B(O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
NOS2 P35228 1/20 0.46
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
KDM4E B2RXH2 2/20 0.42
PLAU P00749 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.40
MAPT P10636 1/20 0.40
FDPS P14324 3/20 0.40
HTT P42858 2/20 0.38
CYP2A6 P11509 1/20 0.38
SLC6A2 P23975 1/20 0.38
HSP90AA1 P07900 1/20 0.37
ATM Q13315 1/20 0.36
LMNA P02545 1/20 0.35
METAP2 P50579 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL1844731 0.89 NOS3 (0.42) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL29232877 0.79 ENPP2 (0.37) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL13417828 0.79 NOS3 (0.48) NOS3NOS1NOS2NPC1RAB9A
SCHEMBL29953696 0.74 ALDH1A1 (0.45) NPC1RAB9AKDM4EL3MBTL1MAPT
SCHEMBL29091457 0.74 ALDH1A1 (0.45) NPC1RAB9AKDM4EL3MBTL1MAPT
SCHEMBL290645 0.73 KDM4E (0.38) NPC1KDM4EL3MBTL1MAPTHTT
SCHEMBL3563575 0.73 TRIM24 (0.38) NPC1RAB9AKDM4EMAPTHTT
SCHEMBL729391 0.73 HSP90AA1 (0.38) NOS3NOS1NOS2KDM4EMAPT
SCHEMBL29517081 0.73 HSP90AA1 (0.38) NOS3NOS1NOS2KDM4EMAPT
SCHEMBL982637 0.73 LMNA (0.38) KDM4EL3MBTL1MAPTHTTSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336594-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF BETTA PHARMACEUTICALS CO., LTD (CN) 2024-10-10 US disclosed
US-12077539-B2 Imidazole and triazole KRAS inhibitors INCYTE CORPORATION (US) 2024-09-03 US disclosed
EP-4368618-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2024-05-15 EP disclosed
CN-117715898-A Six-membered aryl or heteroaryl amide compound, composition and application thereof 贝达药业股份有限公司 2024-03-15 CN disclosed
CN-117447475-A Pyrazolo [4,3-b ] pyridines and imidazo [1,5-a ] pyrimidines as PDE1 inhibitors H.隆德贝克有限公司 2024-01-26 CN disclosed
CN-111511742-B Pyrazolo [4,3-b ] pyridines and imidazo [1,5-a ] pyrimidines as PDE1 inhibitors H.隆德贝克有限公司 2023-10-27 CN disclosed
US-11753426-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and organic light-emitting apparatus including the organic light-emitting device SAMSUNG DISPLAY CO., LTD. (KR) 2023-09-12 US disclosed
US-20230061891-A1 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS, INC. 2023-03-02 US disclosed
US-11560386-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2023-01-24 US disclosed
WO-2023279986-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2023-01-12 WO disclosed
US-8163781-B2 Bi-aryl aminotetralines HOFFMAN-LA ROCHE INC. (US) 2012-04-24 US disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed
US-8013010-B2 5-thioxylopyranose compounds LABORATOIRES FOURNIER S.A. (FR) 2011-09-06 US disclosed
EP-1934216-B1 NAPHTHYRIDIN DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-11-24 EP disclosed
US-20100041714-A1 BI-ARYL AMINOTETRALINES BLANC JEAN-BAPTISTE 2010-02-18 US disclosed
US-20090186840-A1 5-Thioxylopyranose Compounds LABORATOIRES FOURNIER S.A (FR) 2009-07-23 US disclosed
US-7511055-B2 Naphthyridin derivatives HOFFMANN-LA ROCHE INC. (US) 2009-03-31 US disclosed
EP-1934216-A1 NAPHTHYRIDIN DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-06-25 EP disclosed
WO-2007039512-A1 NAPHTHYRIDIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-04-12 WO disclosed
US-20070078155-A1 Naphthyridin derivatives F. HOFFMANN-LA ROCHE AG (CH) 2007-04-05 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 (8 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-12077539-B2 Imidazole and triazole KRAS inhibitors KRAS, NRAS, HRAS NOS3 2391/4885NOS1 2371/4885NOS2 2859/4885
US-20070078155-A1 Naphthyridin derivatives GRM5, GRM3, GRM1 NOS3 1482/4885NOS1 2125/4885NOS2 2175/4885
US-11753426-B2 Organometallic compound, organic light-emitting device including the organometallic compound, and organic light-emitting apparatus including the organic light-emitting device L1CAM, L3MBTL1, MSL1 NOS3 1240/4885NOS1 322/4885NOS2 509/4885
US-20240336594-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF MALT1, CYP51A1, BCR NOS3 3832/4885NOS1 2660/4885NOS2 3766/4885
US-20100041714-A1 BI-ARYL AMINOTETRALINES HRH4, HRH2, HRH1 NOS3 1900/4885NOS1 1980/4885NOS2 1673/4885
US-20090186840-A1 5-Thioxylopyranose Compounds TPMT, PNPO, CYP3A5 NOS3 1370/4885NOS1 1534/4885NOS2 1843/4885
US-20230061891-A1 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD1 NOS3 2738/4885NOS1 3037/4885NOS2 3476/4885
US-11560386-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of disorders related thereto ADRB3, ADRB1, ADRB2 NOS3 299/4885NOS1 1360/4885NOS2 1459/4885

“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.