SCHEMBL2295063

SCHEMBL2295063

NC(=O)N1CCN(c2nc(-c3ccc(N4CCOCC4)cc3)cc3ncccc23)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.55
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
AHR P35869 1/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.45
HCRTR1 O43613 1/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
ALOX15 P16050 1/20 0.43
METAP1 P53582 1/20 0.43
TP53 P04637 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL1855232 0.88 SYK (0.52) SYKALDH1A1KDM4EMAPTMAPK1
SCHEMBL2297975 0.84 SYK (0.60) SYKPRKDC
SCHEMBL1858428 0.83 SYK (0.56) SYKALDH1A1KDM4EMAPTMAPK1
SCHEMBL2588826 0.82 PIK3CD (0.57) SYKALDH1A1KDM4EMAPTMAPK1
SCHEMBL1855309 0.82 SYK (0.51) SYKALDH1A1KDM4EMAPTMAPK1
SCHEMBL1856091 0.81 SYK (0.52) SYKALDH1A1KDM4EMAPTMAPK1
SCHEMBL14900561 0.80 SYK (0.53) SYKALDH1A1KDM4EMAPTMAPK1
SCHEMBL1855610 0.79 SYK (0.61) SYKALDH1A1KDM4EMAPTMAPK1
SCHEMBL1856094 0.79 SYK (0.49) SYKALDH1A1KDM4EMAPTMAPK1
SCHEMBL12425037 0.77 SYK (0.61) SYKALDH1A1KDM4EMAPTMAPK1

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 4 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
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 2086/4885ALDH1A1 1585/4885KDM4E 3345/4885

“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.