SCHEMBL4264923

SCHEMBL4264923

NC(=O)c1ccc(CN2CCOCC2)c(Cl)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A13 Q16696 4/20 0.62
IP6K1 Q92551 1/20 0.53
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 2/20 0.46
JAK2 O60674 3/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SLC2A1 P11166 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 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
SCHEMBL4261604 0.84 CYP2C9 (0.55) CYP2A13CYP2C9ALOX15HSD17B10MAPT
SCHEMBL16380773 0.83 IP6K1 (0.56) IP6K1MAPTLMNASMN1; SMN2HPGD
SCHEMBL18922209 0.83 ALDH1A1 (0.57) IP6K1HSD17B10JAK2JAK1TYK2
SCHEMBL4260815 0.83 CYP2A13 (0.54) CYP2A13CYP2C9ALOX15HSD17B10MAPT
SCHEMBL4262164 0.83 CYP2A13 (0.54) CYP2A13CYP2C9ALOX15HSD17B10MAPT
SCHEMBL2252952 0.83 ALDH1A1 (0.61) CYP2A13ALOX15HSD17B10MAPTLMNA
SCHEMBL5717835 0.82 CTSB (0.58) CYP2A13CYP2C9ALOX15HSD17B10MAPT
SCHEMBL3304078 0.81 CYP2A13 (0.63) CYP2A13CYP2C9ALOX15HSD17B10MAPT
SCHEMBL4263319 0.80 CYP2D6 (0.52) CYP2C9HSD17B10MAPTLMNASMN1; SMN2
SCHEMBL4271284 0.80 HSD17B10 (0.47) CYP2A13CYP2C9ALOX15HSD17B10MAPT

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 5 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
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 (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-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 666/4885IP6K1 108/4885CYP2C9 506/4885

“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.