SCHEMBL523458

SCHEMBL523458

CC(C)C[C@@H](O)C1CNC(=O)C1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
PDE4A P27815 5/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
SYK P43405 11/20 0.33
FLT3 P36888 2/20 0.33
AURKB Q96GD4 2/20 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
SCHEMBL523457 1.00 TSHR (0.36) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL523459 1.00 TSHR (0.36) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL16692888 1.00 TSHR (0.36) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL16426842 0.82 TSHR (0.30) TSHR
SCHEMBL16426841 0.82 TSHR (0.30) TSHR
SCHEMBL525016 0.81 GBA1 (0.35) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL524301 0.81 GBA1 (0.35) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL523398 0.81 GBA1 (0.35) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL524302 0.81 GBA1 (0.35) TSHRPDE4APDE4BPDE4CPDE4D
SCHEMBL525015 0.81 GBA1 (0.35) TSHRPDE4APDE4BPDE4CPDE4D

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 TSHR 692/4885PDE4A 1346/4885PDE4B 1145/4885
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 TSHR 692/4885PDE4A 1346/4885PDE4B 1145/4885

“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.