SCHEMBL523336

SCHEMBL523336

C[C@H](c1ccccc1)N1C[C@H](CO[Si](C)(C)C(C)(C)C)CC1=O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.49
MAPK1 P28482 1/20 0.41
GRM5 P41594 1/20 0.40
TOP2A P11388 1/20 0.39
P2RX3 P56373 2/20 0.36
HSD11B1 P28845 2/20 0.34
THRB P10828 1/20 0.34
FAAH O00519 1/20 0.33
FKBP1A P62942 1/20 0.32
DUT P33316 1/20 0.32

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
SCHEMBL2670170 1.00 KMT2A (0.49) KMT2AMAPK1GRM5TOP2AP2RX3
SCHEMBL13752130 0.80 KMT2A (0.58) KMT2AMAPK1GRM5P2RX3HSD11B1
SCHEMBL10306172 0.79 KMT2A (0.54) KMT2AMAPK1GRM5P2RX3HSD11B1
SCHEMBL524400 0.78 KMT2A (0.38) KMT2ATOP2AHSD11B1FAAH
SCHEMBL524240 0.77 TOP2A (0.37) KMT2AMAPK1TOP2AHSD11B1
SCHEMBL15850846 0.77 KMT2A (0.52) KMT2AMAPK1GRM5P2RX3HSD11B1
SCHEMBL7093869 0.77 KMT2A (0.52) KMT2AMAPK1GRM5P2RX3HSD11B1
SCHEMBL28778762 0.77 KMT2A (0.52) KMT2AMAPK1GRM5P2RX3
SCHEMBL28778765 0.77 KMT2A (0.52) KMT2AMAPK1GRM5P2RX3
SCHEMBL28778767 0.77 KMT2A (0.52) KMT2AMAPK1GRM5P2RX3

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 15 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
US-9187478-B2 Substituted naphthyridines and their use as medicaments Boehringer Ingellheim International GmbH (DE) 2015-11-17 US disclosed
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
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-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-05-07 US 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
US-8969568-B2 Substituted naphthyridines and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2015-03-03 US disclosed
US-8969568-B2 Substituted naphthyridines and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2015-03-03 US disclosed
US-8952010-B2 Amino group-containing pyrrolidinone derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-02-10 US disclosed
US-20140187542-A1 AMINO GROUP-CONTAINING PYRROLIDINONE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-07-03 US disclosed
US-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 US disclosed
US-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-02 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 (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-20120028939-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 KMT2A 4357/4885MAPK1 3154/4885GRM5 2082/4885
US-20140187542-A1 AMINO GROUP-CONTAINING PYRROLIDINONE DERIVATIVE AR, RCC2, NR3C2 KMT2A 569/4885MAPK1 169/4885GRM5 688/4885
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 KMT2A 4357/4885MAPK1 3154/4885GRM5 2082/4885

“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.