SCHEMBL15180060

SCHEMBL15180060

COc1cc(OC)c(OCCN2CCOCC2)c(C(C)(C)C)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.63
CYP2D6 P10635 2/20 0.57
CYP3A4 P08684 1/20 0.57
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.45
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.44
PTPN1 P18031 1/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
FGFR2 P21802 1/20 0.42

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
SCHEMBL10044440 0.84 SYK (0.71) SYKCYP2D6CYP3A4TSHRALDH1A1
SCHEMBL10196165 0.78 SYK (1.00) SYKCYP2D6CYP3A4TSHRALDH1A1
SCHEMBL12435658 0.77 SYK (0.77) SYKCYP2D6TSHRSMN1; SMN2POLB
SCHEMBL12781734 0.76 CYP2D6 (0.67) SYKCYP2D6CYP3A4TSHRLMNA
SCHEMBL13791083 0.76 SYK (0.59) SYKTSHRLMNAALDH1A1SMN1; SMN2
SCHEMBL12781742 0.75 CYP2D6 (0.62) SYKCYP2D6CYP3A4TSHRALDH1A1
SCHEMBL15180074 0.74 CA1 (0.47) CYP3A4TSHRLMNAALDH1A1MAPK1
SCHEMBL22962823 0.74 SYK (0.48) SYKCYP2D6CYP3A4TSHRALDH1A1
SCHEMBL523271 0.73 SYK (0.71) SYKCYP2D6TSHRALDH1A1SMN1; SMN2
SCHEMBL15180030 0.73 CA1 (0.46) CYP3A4TSHRLMNAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130211076-A1 Method for preparing substituted N-(3-amino-quinoxalin-2-yl)-sulfonamides and their intermediates N-(3-chloro-quinoxalin-2-yl)-sulfonamides MERCK SERONO S.A. GENEVA (CH) 2013-08-15 US disclosed
US-20130211076-A1 Method for preparing substituted N-(3-amino-quinoxalin-2-yl)-sulfonamides and their intermediates N-(3-chloro-quinoxalin-2-yl)-sulfonamides MERCK SERONO S.A. GENEVA (CH) 2013-08-15 US 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-20130211076-A1 Method for preparing substituted N-(3-amino-quinoxalin-2-yl)-sulfonamides and their intermediates N-(3-chloro-quinoxalin-2-yl)-sulfonamides STS, NQO2, ASNS SYK 1840/4885CYP2D6 265/4885CYP3A4 665/4885

“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.