SCHEMBL4123545

SCHEMBL4123545

COc1ccccc1CNc1ccc2cc(NS(=O)(=O)NC3CC3)ccc2n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.47
CYP3A4 P08684 8/20 0.47
CYP2C19 P33261 8/20 0.47
CYP2D6 P10635 7/20 0.47
USP2 O75604 6/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
CLK4 Q9HAZ1 4/20 0.47
MAPK1 P28482 5/20 0.44
CYP2C9 P11712 4/20 0.44
HSD17B10 Q99714 4/20 0.44
HIF1A Q16665 2/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 5/20 0.42
ALOX12 P18054 2/20 0.42
TP53 P04637 4/20 0.42
LMNA P02545 4/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
ALOX15 P16050 3/20 0.40

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
SCHEMBL3272974 0.85 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19CYP2D6USP2
SCHEMBL4110274 0.82 KDM4E (0.51) CYP1A2CYP3A4CYP2C19CYP2D6USP2
SCHEMBL3267065 0.81 MEN1 (0.53) CYP1A2CYP3A4CYP2C19CYP2D6USP2
SCHEMBL3268616 0.77 PDGFRB (0.53) CYP1A2CYP3A4CYP2C19CYP2D6USP2
SCHEMBL3267015 0.76 MEN1 (0.47) CYP1A2CYP3A4CYP2C19CYP2D6USP2
SCHEMBL3406201 0.75 CHEK1 (0.49) MAPK1HIF1AKDM4EMAPTATM
SCHEMBL3266911 0.75 AURKA (0.54) CYP1A2CYP3A4CYP2C19CYP2D6USP2
SCHEMBL3266795 0.74 CYP2D6 (0.47) CYP1A2CYP3A4CYP2C19CYP2D6USP2
SCHEMBL3266890 0.74 AURKA (0.48) CYP1A2CYP3A4CYP2C19CYP2D6USP2
SCHEMBL3268223 0.74 QRFPR (0.50) CYP1A2CYP3A4CYP2C19CYP2D6USP2

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-8350028-B2 2-aminoquinolines HOFMANN-LA ROCHE INC. (US) 2013-01-08 US disclosed
US-20090233927-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-17 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-20090233927-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2B CYP1A2 399/4885CYP3A4 662/4885CYP2C19 346/4885

“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.