SCHEMBL1858474

SCHEMBL1858474

Cc1cc(-c2cc3ncccc3c(OC[C@H]3CCCNC3)n2)ccc1N1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SYK P43405 20/20 0.52
KCNH2 Q12809 4/20 0.49
AURKB Q96GD4 4/20 0.49
KDR P35968 1/20 0.48

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
SCHEMBL1858477 1.00 SYK (0.52) SYKKCNH2AURKBKDR
SCHEMBL14241494 0.78 SYK (0.79) SYKKCNH2AURKBKDR
SCHEMBL14241441 0.78 SYK (0.79) SYKKCNH2AURKBKDR
SCHEMBL19495664 0.78 SYK (0.79) SYKKCNH2AURKBKDR
SCHEMBL1550002 0.77 SYK (0.53) SYKKCNH2AURKB
SCHEMBL12235411 0.77 SYK (0.53) SYKKCNH2AURKB
SCHEMBL12385958 0.75 METAP1 (0.47) SYKKCNH2KDR
SCHEMBL1856348 0.75 SYK (0.73) SYK
SCHEMBL1851854 0.75 SYK (0.73) SYK
SCHEMBL17403921 0.75 SYK (0.52) SYK

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201608-A1 SUBSTITUTED NAPHTHYRIDINES AND USE THEREOF AS MEDICINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-18 US disclosed
US-20110201608-A1 SUBSTITUTED NAPHTHYRIDINES AND USE THEREOF AS MEDICINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-18 US disclosed
US-20110201608-A1 SUBSTITUTED NAPHTHYRIDINES AND USE THEREOF AS MEDICINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-18 US disclosed
EP-2324022-A1 SUBSTITUTED NAPHTHYRIDINES AND USE THEREOF AS MEDICINES Boehringer Ingelheim International GmbH (DE) 2011-05-25 EP disclosed
WO-2010015520-A1 SUBSTITUTED NAPHTHYRIDINES AND USE THEREOF AS MEDICINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-11 WO disclosed
WO-2010015520-A1 SUBSTITUTED NAPHTHYRIDINES AND USE THEREOF AS MEDICINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-02-11 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 (1 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-20110201608-A1 SUBSTITUTED NAPHTHYRIDINES AND USE THEREOF AS MEDICINES NR4A1, NR4A3, NR0B1 SYK 2086/4885KCNH2 1386/4885AURKB 3645/4885

“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.