SCHEMBL1921500

SCHEMBL1921500

Cc1ccc(N)cc1B(O)OC(C)(C)C(C)(C)O

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 3/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 3/20 0.37
PDE10A Q9Y233 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RECQL P46063 1/20 0.30
NR1H2 P55055 1/20 0.30

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
SCHEMBL830482 0.81
SCHEMBL42894 0.80
SCHEMBL829465 0.79 MEN1 (0.35) ALDH1A1KDM4E
SCHEMBL22684752 0.77 ENPP2 (0.33) TSHR
SCHEMBL9994954 0.75 CD44 (0.36) CYP3A4TSHRLMNA
SCHEMBL9994951 0.75 ALDH1A1 (0.38) CYP3A4ALDH1A1SMN1; SMN2
SCHEMBL15057694 0.75 SMN1; SMN2 (0.38) CYP3A4TSHRALDH1A1SMN1; SMN2
SCHEMBL54815 0.75 MAPK1 (0.32) ALDH1A1MAPT
SCHEMBL3328437 0.73 ALDH1A1 (0.54) CASP1CYP3A4TSHRALDH1A1PDE10A
SCHEMBL1032711 0.73 ALDH1A1 (0.50) CASP1CYP3A4TSHRALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400577-A1 MODULATORS OF PROTEIN KINASES VIBLIOME THERAPEUTICS, LLC 2024-12-05 US disclosed
WO-2023283369-A1 MODULATORS OF PROTEIN KINASES VIBLIOME THERAPEUTICS, LLC (US) 2023-01-12 WO disclosed
CN-108467369-B Biaryl amide compounds as kinase inhibitors 诺华股份有限公司 2021-08-20 CN disclosed
CN-107074828-B Compounds and compositions as RAF kinase inhibitors 诺华股份有限公司 2020-05-19 CN disclosed
EP-2328871-B1 HEDGEHOG PATHWAY MODULATORS NOVARTIS AG (CH) 2020-04-01 EP disclosed
EP-2651899-B1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF HOFFMANN LA ROCHE (CH) 2017-05-31 EP disclosed
US-20160060262-A1 Substituted 6,6-Fused Nitrogenous Heterocyclic Compounds and Uses Thereof GENENTECH, INC. (US) 2016-03-03 US disclosed
US-9216964-B2 Hedgehog pathway modulators NOVARTIS AG (CH) 2015-12-22 US disclosed
US-9206175-B2 Substituted 6,6-fused nitrogenous heterocyclic compounds and uses thereof GENENTECH, INC. (US) 2015-12-08 US disclosed
US-20140088076-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2014-03-27 US disclosed
EP-2651899-A2 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2013-10-23 EP disclosed
US-8507491-B2 Compounds and compositions as hedgehog pathway inhibitors IRM LLC (BM) 2013-08-13 US disclosed
US-20120322785-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2012-12-20 US disclosed
WO-2012080284-A2 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2012-06-21 WO disclosed
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-23 US disclosed
EP-2328871-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2011-06-08 EP disclosed
WO-2010027746-A2 HEDGEHOG PATHWAY MODULATORS IRM LLC (BM) 2010-03-11 WO disclosed
EP-2134683-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION Intermune, Inc. (US) 2009-12-23 EP disclosed
US-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-02-19 US disclosed
WO-2008100867-A2 NOVEL INHIBITORS HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2008-08-21 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 (6 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-20240400577-A1 MODULATORS OF PROTEIN KINASES MAP3K20, PRKCE, PRKCH CASP1 4297/4885CYP3A4 4766/4885TSHR 3417/4885
US-20110152282-A1 HEDGEHOG PATHWAY MODULATORS GLI1, SHH, SMO CASP1 4391/4885CYP3A4 4858/4885TSHR 1946/4885
US-20160060262-A1 Substituted 6,6-Fused Nitrogenous Heterocyclic Compounds and Uses Thereof XDH, CYP2B6, COX6B1 CASP1 2231/4885CYP3A4 27/4885TSHR 3040/4885
US-20120322785-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF XDH, CYP2B6, COX6B1 CASP1 2231/4885CYP3A4 27/4885TSHR 3040/4885
US-20090047246-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION EIF2AK2, HAVCR2, HCCS CASP1 2133/4885CYP3A4 1766/4885TSHR 4762/4885
US-20140088076-A1 SUBSTITUTED 6,6-FUSED NITROGENOUS HETEROCYCLIC COMPOUNDS AND USES THEREOF XDH, CYP2B6, COX6B1 CASP1 2231/4885CYP3A4 27/4885TSHR 3040/4885

“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.