SCHEMBL525905

SCHEMBL525905

BrC1=NOC(COc2nccc3ncccc23)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.37
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 3/20 0.36
HPGD P15428 2/20 0.36
KMT2A Q03164 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
SYK P43405 9/20 0.36
TGM2 P21980 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
ESR1 P03372 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL524188 0.74 SYK (0.69) SYK
SCHEMBL30728885 0.69 HTR4 (0.50) GRM4SYK
SCHEMBL17460016 0.69 LMNA (0.33) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL19129628 0.61 ALDH1A1 (0.40) KDM4EMAPTALDH1A1LMNAHPGD
SCHEMBL11509799 0.61 MAPT (0.58) KDM4EMAPTALDH1A1LMNAKMT2A
SCHEMBL1979292 0.61 ALDH1A1 (0.51) KDM4EMAPTALDH1A1CYP3A4SYK
SCHEMBL35864709 0.61 ALDH1A1 (0.51) KDM4EMAPTALDH1A1CYP3A4SYK
SCHEMBL1979289 0.61 ALDH1A1 (0.51) KDM4EMAPTALDH1A1CYP3A4SYK
SCHEMBL8069764 0.61 ALDH1A1 (0.51) KDM4EMAPTALDH1A1CYP3A4SYK
SCHEMBL638393 0.61 MAPT (0.52) KDM4EMAPTALDH1A1LMNAKMT2A

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 GRM4 849/4885KDM4E 2972/4885MAPT 4606/4885
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 GRM4 849/4885KDM4E 2972/4885MAPT 4606/4885

“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.