SCHEMBL4262170

SCHEMBL4262170

Cc1cc(N)ccc1CN1CCOCC1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 5/20 0.61
HSD17B10 Q99714 2/20 0.53
CYP2C9 P11712 1/20 0.53
ALOX15 P16050 1/20 0.53
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.47
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
POLB P06746 1/20 0.46
LRRK2 Q5S007 1/20 0.45
NR1H2 P55055 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ACHE P22303 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL3399817 0.87 CYP2A13 (0.61) CYP2A13HSD17B10CYP2C9ALOX15KDM4E
SCHEMBL9609631 0.85 ACHE (0.60) KDM4EMAPTKMT2ANR1H2GAA
SCHEMBL6340603 0.83 CYP2C9 (0.56) CYP2A13HSD17B10CYP2C9ALOX15KDM4E
SCHEMBL13983575 0.83 CYP2A13 (0.65) CYP2A13HSD17B10CYP2C9ALOX15MAPT
SCHEMBL4758225 0.82 NR1H2 (0.64) KDM4EMAPTKMT2APOLBNR1H2
SCHEMBL4937802 0.82 GAA (0.60) KDM4EMAPTKMT2ANR1H2LMNA
Hydrochloric Acid SCHEMBL6340504 0.82 CYP2C9 (0.54) CYP2A13HSD17B10CYP2C9ALOX15KDM4E
Hydrochloric Acid SCHEMBL9033967 0.82 ACHE (0.59) KDM4EMAPTKMT2ANR1H2GAA
SCHEMBL23240235 0.81 CYP2A13 (0.53) CYP2A13HSD17B10CYP2C9ALOX15KDM4E
SCHEMBL4243681 0.81 CYP2A13 (0.71) CYP2A13HSD17B10CYP2C9ALOX15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579356-B2 Thia-tetraazaacenaphthylene kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-08-25 US claimed
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-15 US claimed
WO-2006118749-A1 THIA-TETRAAZAACENAPHTHYLENE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-11-09 WO claimed
EP-3205645-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-10-23 EP disclosed
US-9957251-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-05-01 US disclosed
EP-3205645-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-08-16 EP disclosed
US-9597343-B2 Targeted therapeutics SYNTA PHARMACEUTICALS CORP. (US) 2017-03-21 US disclosed
US-20170044132-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-02-16 US disclosed
EP-2066647-B1 BENZOXAZOLES AND OXAZOLOPYRIDINES BEING USEFUL AS JANUS KINASES INHIBITORS NOVARTIS AG (CH) 2011-11-09 EP disclosed
US-7579356-B2 Thia-tetraazaacenaphthylene kinase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2009-08-25 US disclosed
US-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide JANSSEN PHARMACEUTICA, N.V. (BE) 2007-11-15 US disclosed
WO-2006118749-A1 THIA-TETRAAZAACENAPHTHYLENE KINASE INHIBITORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-11-09 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-20070265264-A1 5-(3-chloro-4-fluoro-phenyl)-4-oxo-4,5-dihydro-3H-1-thia-3,5,6,8-tetraaza-acenaphthylene-2-carboxylic acid (3,4-dimethoxy-phenyl)-amide ADK, MAP3K9, MAP4K5 CYP2A13 666/4885HSD17B10 3042/4885CYP2C9 506/4885
US-20170044132-A1 HETEROCYCLIC COMPOUND CDK19, CDK9, CDK8 CYP2A13 3740/4885HSD17B10 2104/4885CYP2C9 1058/4885

“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.