SCHEMBL3405690

SCHEMBL3405690

NC(=NO)c1ccc2nc(N[C@@H]3CCc4ccccc43)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.41
CHEK2 O96017 1/20 0.41
FADS1 O60427 1/20 0.38
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
HDAC6 Q9UBN7 1/20 0.37
KCNN3 Q9UGI6 1/20 0.37
TAOK1 Q7L7X3 1/20 0.37
TAOK3 Q9H2K8 1/20 0.37
PFKFB3 Q16875 3/20 0.37
AURKA O14965 1/20 0.37
RPS6KB1 P23443 1/20 0.37
GBA1 P04062 1/20 0.37
PDPK1 O15530 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36

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
SCHEMBL3407108 0.84 PFKFB3 (0.43) HPGDSCHEK2FADS1DDB1CRBN
SCHEMBL3407110 0.84 PFKFB3 (0.43) HPGDSCHEK2FADS1DDB1CRBN
SCHEMBL3401352 0.84 HPGDS (0.49) HPGDSCHEK2FADS1DDB1CRBN
SCHEMBL4106144 0.82 HPGDS (0.41) HPGDSCHEK2FADS1DDB1CRBN
SCHEMBL3404143 0.81 FADS1 (0.43) FADS1DDB1CRBNHDAC6KCNN3
SCHEMBL3401133 0.81 FADS1 (0.43) FADS1DDB1CRBNHDAC6KCNN3
SCHEMBL3404613 0.79 HRH3 (0.45) HPGDSCHEK2DDB1CRBNPDE4A
SCHEMBL1616236 0.79 AURKA (0.45) FADS1HDAC6KCNN3PFKFB3AURKA
SCHEMBL3414984 0.79 AURKA (0.41) HPGDSCHEK2FADS1DDB1CRBN
SCHEMBL3415074 0.79 FADS1 (0.40) HPGDSFADS1DDB1CRBNPFKFB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8188284-B2 2-aminoquinolines HOFFMAN-LA ROCHE INC. (US) 2012-05-29 US disclosed
EP-2252372-A1 2-AMINOQUINOLINES F. Hoffmann-La Roche AG (CH) 2010-11-24 EP disclosed
WO-2009109502-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG (CH) 2009-09-11 WO disclosed
US-20090227583-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2009-09-10 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-20090227583-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2B HPGDS 2010/4885CHEK2 2163/4885FADS1 2801/4885

“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.