SCHEMBL523983

SCHEMBL523983

COc1cc(C#N)cc2c1OCO2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
CYP3A4 P08684 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
ACHE P22303 1/20 0.45
HSD17B10 Q99714 4/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PKM P14618 1/20 0.45
POLB P06746 4/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
HPGD P15428 2/20 0.43
ALOX15 P16050 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MITF O75030 1/20 0.43
LMNA P02545 1/20 0.43
TUBB4A P04350 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
SCHEMBL1465391 0.76 CYP3A4 (0.64) ALDH1A1CYP3A4SMN1; SMN2ACHEHSD17B10
SCHEMBL10025891 0.75 CYP3A4 (0.58) ALDH1A1CYP3A4SMN1; SMN2ACHEMEN1
SCHEMBL5387246 0.75 CYP3A4 (0.58) ALDH1A1CYP3A4SMN1; SMN2ACHEMEN1
SCHEMBL31405855 0.75 ALDH1A1 (0.48) ALDH1A1CYP3A4SMN1; SMN2ACHEHSD17B10
SCHEMBL14269314 0.74 ALDH1A1 (0.48) ALDH1A1CYP3A4SMN1; SMN2ACHEHSD17B10
SCHEMBL31405857 0.74 ALDH1A1 (0.48) ALDH1A1CYP3A4SMN1; SMN2ACHEHSD17B10
SCHEMBL8144226 0.74 CYP3A4 (0.57) ALDH1A1CYP3A4SMN1; SMN2ACHEHSD17B10
SCHEMBL1171848 0.74 XDH (0.44) ALDH1A1SMN1; SMN2HSD17B10MEN1KMT2A
SCHEMBL4043528 0.74 ALDH1A1 (0.57) ALDH1A1CYP3A4SMN1; SMN2ACHEHSD17B10
SCHEMBL20906135 0.74 XDH (0.44) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT

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 ALDH1A1 1077/4885CYP3A4 90/4885SMN1; SMN2 4270/4885
US-20150126503-A1 SUBSTITUTED NAPHTHYRIDINES AND THEIR USE AS MEDICAMENTS NR4A3, NR0B1, NR4A1 ALDH1A1 1077/4885CYP3A4 90/4885SMN1; SMN2 4270/4885

“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.