SCHEMBL523663

SCHEMBL523663

COc1c(O)ccc(C#N)c1OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.42
PGR P06401 1/20 0.42
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
IMPDH2 P12268 1/20 0.40
IMPDH1 P20839 1/20 0.40
USP2 O75604 1/20 0.40
CA1 P00915 2/20 0.37
CA12 O43570 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA2 P00918 1/20 0.36
EGFR P00533 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
UPP1 Q16831 1/20 0.34

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
SCHEMBL7961132 0.87 ALDH1A1 (0.48) ARPGRALDH1A1KDM4EIMPDH2
SCHEMBL14041082 0.82 ALDH1A1 (0.44) ARPGRALDH1A1KDM4EIMPDH2
SCHEMBL17440384 0.82 CA1 (0.47) ARPGRALDH1A1KDM4EIMPDH2
SCHEMBL5580413 0.79 CA1 (0.41) ALDH1A1KDM4ECA1CA12CA7
SCHEMBL29403778 0.79 TDP1 (0.52) ALDH1A1KDM4ECA1CA12CA7
SCHEMBL69925 0.79 TDP1 (0.52) ALDH1A1KDM4ECA1CA12CA7
SCHEMBL13932584 0.78 PGR (0.37) ARPGRALDH1A1KDM4EIMPDH2
SCHEMBL4696500 0.77 ALDH1A1 (0.55) ARPGRALDH1A1KDM4EIMPDH2
SCHEMBL82892 0.76 GPR35 (0.46) ARPGRALDH1A1KDM4ETDP1
SCHEMBL26259810 0.76 IMPDH2 (0.48) ARPGRALDH1A1KDM4EIMPDH2

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 AR 805/4885PGR 893/4885ALDH1A1 1077/4885
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 AR 805/4885PGR 893/4885ALDH1A1 1077/4885

“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.