SCHEMBL695025

SCHEMBL695025

CCc1cc(B(O)O)ccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
LPL P06858 4/20 0.42
LIPG Q9Y5X9 4/20 0.42
PRKCI P41743 1/20 0.41
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
SREBF1 P36956 1/20 0.36
SREBF2 Q12772 1/20 0.36
ENPP2 Q13822 2/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
PLG P00747 1/20 0.34
F12 P00748 1/20 0.34
F11 P03951 1/20 0.34
KLKB1 P03952 1/20 0.34
PRSS1 P07477 1/20 0.34

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
SCHEMBL14904906 0.82 ENPP2 (0.44) KDM4EENPP2PLGF12F11
SCHEMBL13921939 0.80 F11 (0.41) CYP1A2POLBKDM4ELMNACYP3A4
SCHEMBL17304227 0.79 ENPP2 (0.38) CYP1A2POLBKDM4EENPP2NOS3
SCHEMBL2562348 0.78 KDM4E (0.36) CYP1A2POLBLPLLIPGKDM4E
SCHEMBL15331651 0.77 ENPP2 (0.46) LPLLIPGKDM4ELMNACYP3A4
SCHEMBL939335 0.74 ENPP2 (0.41) LPLLIPGKDM4ELMNACYP3A4
SCHEMBL2562909 0.74 NOS3 (0.39) CYP1A2LPLLIPGKDM4ELMNA
SCHEMBL29951987 0.74 LPL (0.43) LPLLIPGENPP2NOS3NOS2
SCHEMBL29956753 0.73 ACACB (0.37) LPLLIPGENPP2PLGF12
SCHEMBL2066753 0.73 ACACB (0.37) LPLLIPGENPP2PLGF12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360131-A1 BIARYL KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2024-10-31 US disclosed
US-12065437-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-08-20 US disclosed
US-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM HOFFMANN-LA ROCHE INC. (US) 2023-12-12 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
CN-114450274-A Indazoles and azaindazoles as LRRK2 inhibitors 伊斯凯普生物公司 2022-05-06 CN disclosed
US-20210277001-A1 BIARYL KINASE INHIBITORS Cosmic Pet LLC 2021-09-09 US disclosed
EP-3807269-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM F. Hoffmann-La Roche AG (CH) 2021-04-21 EP disclosed
US-10981910-B2 Biaryl kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-20 US disclosed
US-10968215-B2 Pyrido five-element aromatic ring compound, preparation method therefor and use thereof SHANGHAI HAIHE PHARMACEUTICAL CO., LTD. (CN) 2021-04-06 US disclosed
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM HOFFMANN-LA ROCHE INC. (US) 2021-04-01 US disclosed
WO-2012131588-A1 3-UREIDOISOQUINOLIN-8-YL DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-10-04 WO disclosed
WO-2012101184-A1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 WO disclosed
US-8222424-B2 Arylsulfonamide-based matrix metalloprotease inhibitors NOVARTIS AG (CH) 2012-07-17 US disclosed
EP-2421846-A1 5-ALKYNYL-PYRIDINES Boehringer Ingelheim International GmbH (DE) 2012-02-29 EP disclosed
US-20110098275-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 US disclosed
US-20110014186-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS NOVARTIS AG (CH) 2011-01-20 US disclosed
EP-2268612-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS Novartis AG (CH) 2011-01-05 EP disclosed
WO-2010122069-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 WO disclosed
WO-2009118292-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS NOVARTIS AG (CH) 2009-10-01 WO disclosed
US-7485725-B1 Pyridine-4-boronic acids 2-substituted with a halogen atom or an organometallating group, e.g., 2-aminomethyl-; used in pharmacological discovery research applications FRONTIER SCIENTIFIC, INC. (US) 2009-02-03 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 (9 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-11840528-B2 Isoxazolyl ether derivatives as GABAA α5 PAM GABRA5, GABRA2, GABRB2 CYP1A2 407/4885POLB 3851/4885LPL 4456/4885
US-10981910-B2 Biaryl kinase inhibitors AAK1, NCK1, MARCKS CYP1A2 4345/4885POLB 3534/4885LPL 2118/4885
US-20210094945-A1 NEW ISOXAZOLYL ETHER DERIVATIVES AS GABA A ALPHA5 PAM GABRA5, GABRB2, GABRB1 CYP1A2 877/4885POLB 4267/4885LPL 4765/4885
US-10968215-B2 Pyrido five-element aromatic ring compound, preparation method therefor and use thereof EZH2, IKZF2, SUZ12 CYP1A2 3428/4885POLB 3003/4885LPL 4875/4885
US-20110014186-A1 ARYLSULFONAMIDE-BASED MATRIX METALLOPROTEASE INHIBITORS MMP11, MMP10, MMP9 CYP1A2 123/4885POLB 1865/4885LPL 539/4885
US-20210277001-A1 BIARYL KINASE INHIBITORS AAK1, NCK1, MARCKS CYP1A2 4345/4885POLB 3534/4885LPL 2118/4885
US-12065437-B2 Biaryl kinase inhibitors AAK1, NCK1, MARCKS CYP1A2 4345/4885POLB 3534/4885LPL 2118/4885
US-20110098275-A1 5-ALKYNYL-PYRIDINES MKI67, KIT, CCNA1 CYP1A2 358/4885POLB 3602/4885LPL 4150/4885
US-20240360131-A1 BIARYL KINASE INHIBITORS AAK1, NCK1, MARCKS CYP1A2 4345/4885POLB 3534/4885LPL 2118/4885

“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.