SCHEMBL3724201

SCHEMBL3724201

CNCc1cccc(B(O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 7/20 0.60
LPL P06858 2/20 0.54
LIPG Q9Y5X9 2/20 0.54
NOS1 P29475 1/20 0.49
KDM4E B2RXH2 2/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
PRMT6 Q96LA8 6/20 0.46
ALDH1A1 P00352 1/20 0.44
EPHX2 P34913 1/20 0.44
MGLL Q99685 1/20 0.42
HTR7 P34969 1/20 0.41

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
SCHEMBL5872608 0.81 ENPP2 (0.72) ENPP2LPLLIPGKDM4EALDH1A1
SCHEMBL25880865 0.81 ENPP2 (0.60) ENPP2LPLLIPGKDM4EALDH1A1
SCHEMBL15981401 0.80 ENPP2 (0.55) ENPP2LPLLIPGKDM4EALDH1A1
SCHEMBL6352816 0.79 ENPP2 (0.58) ENPP2LPLLIPGKDM4EMAPT
SCHEMBL955708 0.79 ENPP2 (0.53) ENPP2LPLLIPG
SCHEMBL1697126 0.79 MAPT (0.64) NOS1KDM4ECYP3A4MAPTPRMT6
SCHEMBL692342 0.78 ENPP2 (0.67) ENPP2LPLLIPGKDM4EALDH1A1
SCHEMBL6358240 0.78 ENPP2 (0.51) ENPP2LPLLIPGKDM4EMAPT
SCHEMBL532278 0.78 ENPP2 (0.51) ENPP2LPLLIPGKDM4E
Hydrochloric Acid SCHEMBL3273205 0.77 MAPT (0.68) NOS1KDM4ECYP3A4MAPTPRMT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230000878-A1 PYRIDINE DERIVATIVES WITH N-LINKED CYCLIC SUBSTITUENTS AS cGAS INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-01-05 US disclosed
EP-3939658-A1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS Biocryst Pharmaceuticals, Inc. (US) 2022-01-19 EP disclosed
US-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME COFERON, INC. (US) 2014-08-28 US disclosed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 US disclosed
EP-2242756-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES Novartis AG (CH) 2010-10-27 EP disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 US disclosed
WO-2009087225-A2 PYRROLOPYRIMIDINES AND PYRROLOPYRIDINES NOVARTIS AG (CH) 2009-07-16 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 (3 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-20140243286-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION, AND METHODS OF USING SAME BRDT, BRD4, BRD1 ENPP2 2629/4885LPL 4309/4885LIPG 3530/4885
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 ENPP2 366/4885LPL 2217/4885LIPG 2295/4885
US-20230000878-A1 PYRIDINE DERIVATIVES WITH N-LINKED CYCLIC SUBSTITUENTS AS cGAS INHIBITORS CGAS, GLS2, GMPS ENPP2 1169/4885LPL 1864/4885LIPG 2308/4885

“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.