SCHEMBL4056655

SCHEMBL4056655

Brc1ccc2nc(-c3ccc4ncccc4c3)oc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTRN P46939 3/20 0.56
NPC1 O15118 9/20 0.54
RAB9A P51151 8/20 0.54
POLB P06746 1/20 0.54
DYRK1A Q13627 1/20 0.49
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
HTT P42858 1/20 0.47
ESR1 P03372 3/20 0.47
ESR2 Q92731 3/20 0.47
SMN1; SMN2 Q16637 7/20 0.46
KDM4E B2RXH2 6/20 0.46
HPGD P15428 6/20 0.46
ALDH1A1 P00352 6/20 0.46
HSD17B10 Q99714 5/20 0.46
MAPT P10636 3/20 0.46
HCRTR1 O43613 1/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL15844590 0.90 UTRN (0.56) UTRNNPC1RAB9APOLBDYRK1A
SCHEMBL4052930 0.84 ESR1 (0.57) UTRNNPC1RAB9ACYP1A2ESR1
SCHEMBL15844951 0.84 NPC1 (0.63) UTRNNPC1RAB9APOLBDYRK1A
SCHEMBL23387567 0.80 NPC1 (0.59) NPC1RAB9AESR1ESR2SMN1; SMN2
SCHEMBL4060159 0.79 UTRN (0.52) UTRNNPC1RAB9APOLBDYRK1A
SCHEMBL4059650 0.78 VSIR (0.54) UTRNNPC1RAB9APOLBDYRK1A
SCHEMBL25498956 0.78 NPC1 (0.55) NPC1RAB9APOLBESR1ESR2
SCHEMBL15845073 0.78 RAB9A (0.58) UTRNNPC1RAB9APOLBDYRK1A
SCHEMBL2139699 0.77 SMN1; SMN2 (0.57) NPC1RAB9APOLBESR1ESR2
SCHEMBL9274000 0.77 NPC1 (0.78) NPC1RAB9APOLBDYRK1ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9246108-B2 Quinoline-benzoxazole derived compounds for electronic films and devices DOW GLOBAL TECHNOLOGIES LLC (US) 2016-01-26 US disclosed
US-9246108-B2 Quinoline-benzoxazole derived compounds for electronic films and devices DOW GLOBAL TECHNOLOGIES LLC (US) 2016-01-26 US disclosed
US-20140183413-A1 QUINOLINE-BENZOXAZOLE DERIVED COMPOUNDS FOR ELECTRONIC FILMS AND DEVICES DOW GLOBAL TECHNOLOGIES LLC (US) 2014-07-03 US disclosed
US-20140183413-A1 QUINOLINE-BENZOXAZOLE DERIVED COMPOUNDS FOR ELECTRONIC FILMS AND DEVICES DOW GLOBAL TECHNOLOGIES LLC (US) 2014-07-03 US disclosed
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-7622479-B2 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-11-24 US disclosed
US-20050101647-A1 Bicyclic derivative, its production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-12 US disclosed
EP-1460067-A1 BICYCLIC DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Chemical Industries, Ltd. (JP) 2004-09-22 EP 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-20050101647-A1 Bicyclic derivative, its production and use ABL1, SRC, PTK2B UTRN 4874/4885NPC1 4740/4885RAB9A 1184/4885

“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.