SCHEMBL4050099

SCHEMBL4050099

CCOc1cc(F)ccc1B(O)O

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
LIPE Q05469 1/20 0.40
ENPP2 Q13822 2/20 0.38
HRH4 Q9H3N8 1/20 0.38
MRGPRX1 Q96LB2 3/20 0.37
ALDH1A1 P00352 4/20 0.37
GLA P06280 1/20 0.37
MAPK1 P28482 1/20 0.36
FBP1 P09467 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL29954551 1.00 L3MBTL1 (0.42) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL9945923 0.89 L3MBTL1 (0.44) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL31314076 0.86 LIPE (0.36) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL29951322 0.86 HTR2C (0.43) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL14988246 0.86 HTR2C (0.43) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL29952296 0.85 L3MBTL1 (0.42) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL1440694 0.85 L3MBTL1 (0.42) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL29953495 0.84 CYP1A2 (0.42) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL16034890 0.84 CYP1A2 (0.42) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL5869062 0.82 ENPP2 (0.40) LIPEENPP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12264159-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2025-04-01 US disclosed
US-20240262828-A1 Functionalized Heterocycles as Antiviral Agents ENANTA PHARM INC (US) 2024-08-08 US disclosed
CN-117683020-A Aminopyridine compound of phthalazinone, preparation method thereof and application thereof in preparation of inhibitor and antitumor drug 华南理工大学 2024-03-12 CN disclosed
US-11891393-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-02-06 US disclosed
CN-117062607-A Methyl substituted pyridine and pyridazine compounds, derivatives thereof and methods of use thereof 拉堤果生物医疗股份有限公司 2023-11-14 CN disclosed
US-20230075366-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARM INC (US) 2023-03-09 US disclosed
US-11198693-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-12-14 US disclosed
CN-112079829-B 1,2, 4-triazole [4,3-a ] pyridine derivative and preparation method and application thereof 四川大学 2021-11-26 CN disclosed
EP-3883570-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS Enanta Pharmaceuticals, Inc. (US) 2021-09-29 EP disclosed
CN-112079829-A 1,2, 4-triazole [4,3-a ] pyridine derivative and preparation method and application thereof 四川大学 2020-12-15 CN disclosed
US-20140057911-A1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES HAVING BOTH AROMATIC AND HALOGENIC SUBSTITUENTS VIROSTATICS SRL (IT) 2014-02-27 US disclosed
US-20140057911-A1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES HAVING BOTH AROMATIC AND HALOGENIC SUBSTITUENTS VIROSTATICS SRL (IT) 2014-02-27 US disclosed
US-20140057911-A1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES HAVING BOTH AROMATIC AND HALOGENIC SUBSTITUENTS VIROSTATICS SRL (IT) 2014-02-27 US disclosed
WO-2013037894-A1 DISUBSTITUTED 5-FLUORO PYRIMIDINE DERIVATIVES CONTAINING A SULFOXIMINE GROUP BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-21 WO disclosed
WO-2012129491-A1 TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-09-27 WO disclosed
US-20120245124-A1 TRPV3 Modulators ABBOTT LABORATORIES (US) 2012-09-27 US disclosed
EP-1773843-A4 SMALL MOLECULE THIENOPYRIMIDINE-BASED PROTEIN TYROSINE KINASE INHIBITORS UNIV TEXAS (US) 2009-06-03 EP disclosed
EP-1773843-A1 SMALL MOLECULE THIENOPYRIMIDINE-BASED PROTEIN TYROSINE KINASE INHIBITORS The Board of Regents of The University of Texas System (US) 2007-04-18 EP disclosed
WO-2006014404-A1 SMALL MOLECULE THIENOPYRIMIDINE-BASED PROTEIN TYROSINE KINASE INHIBITORS BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-02-09 WO disclosed
US-20060004002-A1 Small molecule thienopyrimidine-based protein tyrosine kinase inhibitors BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2006-01-05 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-20060004002-A1 Small molecule thienopyrimidine-based protein tyrosine kinase inhibitors SRC, LCK, FYN L3MBTL1 1793/4885CYP1A2 4112/4885CYP2D6 3946/4885
US-20240262828-A1 Functionalized Heterocycles as Antiviral Agents HCCS, HAVCR2, HDGF L3MBTL1 4720/4885CYP1A2 222/4885CYP2D6 276/4885
US-20120245124-A1 TRPV3 Modulators TRPV3, TRPV2, TRPV1 L3MBTL1 4623/4885CYP1A2 1842/4885CYP2D6 1796/4885
US-11891393-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF L3MBTL1 4720/4885CYP1A2 222/4885CYP2D6 276/4885
US-20140057911-A1 NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES HAVING BOTH AROMATIC AND HALOGENIC SUBSTITUENTS DPYD, ABL1, BRD4 L3MBTL1 1612/4885CYP1A2 580/4885CYP2D6 32/4885
US-20230075366-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF L3MBTL1 4720/4885CYP1A2 222/4885CYP2D6 276/4885
US-11198693-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF L3MBTL1 4720/4885CYP1A2 222/4885CYP2D6 276/4885
US-12264159-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF L3MBTL1 4720/4885CYP1A2 222/4885CYP2D6 276/4885

“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.