SCHEMBL524241

SCHEMBL524241

C[C@H](c1ccccc1)N1C[C@H](C(C)(C)O[SiH2]C(C)(C)C)C(C)(C)C1=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
HSD11B1 P28845 2/20 0.34
MAPK1 P28482 5/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
CYP2D6 P10635 1/20 0.32
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 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
SCHEMBL523337 0.77 KMT2A (0.51) KMT2AHSD11B1MAPK1ALDH1A1HPGD
SCHEMBL524401 0.77 KMT2A (0.40) KMT2AHSD11B1MAPK1ALDH1A1HPGD
SCHEMBL3194067 0.72 KMT2A (0.47) KMT2AHSD11B1MAPK1ALDH1A1HPGD
SCHEMBL20183458 0.72 KMT2A (0.47) KMT2AHSD11B1MAPK1ALDH1A1HPGD
SCHEMBL20183374 0.72 KMT2A (0.47) KMT2AHSD11B1MAPK1ALDH1A1HPGD
SCHEMBL20183376 0.72 KMT2A (0.47) KMT2AHSD11B1MAPK1ALDH1A1HPGD
SCHEMBL20183457 0.72 KMT2A (0.47) KMT2AHSD11B1MAPK1ALDH1A1HPGD
SCHEMBL3188417 0.72 KMT2A (0.47) KMT2AHSD11B1MAPK1ALDH1A1HPGD
SCHEMBL524239 0.70 KMT2A (0.38) KMT2AHSD11B1MAPK1ALDH1A1HPGD
SCHEMBL12436350 0.69 KMT2A (0.47) KMT2AHSD11B1MAPK1ALDH1A1HPGD

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-9187478-B2 Substituted naphthyridines and their use as medicaments Boehringer Ingellheim International GmbH (DE) 2015-11-17 US disclosed
EP-2528915-B1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2015-10-28 EP disclosed
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-05-07 US disclosed
US-8969568-B2 Substituted naphthyridines and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2015-03-03 US disclosed
EP-2528915-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2012-12-05 EP disclosed
US-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
WO-2011092128-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS SYK KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-04 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 (2 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-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 KMT2A 4357/4885HSD11B1 161/4885MAPK1 3154/4885
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 KMT2A 4357/4885HSD11B1 161/4885MAPK1 3154/4885

“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.