SCHEMBL3401352

SCHEMBL3401352

O=C(O)c1ccc2nc(N[C@@H]3CCc4ccccc43)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.49
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
TAOK1 Q7L7X3 2/20 0.43
TAOK3 Q9H2K8 2/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.42
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
JAK3 P52333 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
GBA1 P04062 1/20 0.41
CHEK2 O96017 1/20 0.40
KDM4E B2RXH2 2/20 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
SCHEMBL3404613 0.86 HRH3 (0.45) HPGDSPDE4APDE4BPDE4CPDE4D
SCHEMBL4106144 0.84 HPGDS (0.41) HPGDSPDE4APDE4BPDE4CPDE4D
SCHEMBL3404563 0.84 HPGDS (0.46) HPGDSPDE4APDE4BPDE4CPDE4D
SCHEMBL3405690 0.84 HPGDS (0.41) HPGDSPDE4APDE4BPDE4CPDE4D
SCHEMBL3403165 0.83 KMT2A (0.48) HPGDSTAOK3ALDH1A1FADS1KMT2A
SCHEMBL4109902 0.81 MAPT (0.44) HPGDSCYP1A2DDB1CRBNJAK2
SCHEMBL3414984 0.81 AURKA (0.41) HPGDSPDE4APDE4BPDE4CPDE4D
SCHEMBL3403995 0.81 FADS1 (0.55) DDB1CRBNKDM4EALDH1A1FADS1
SCHEMBL3401133 0.81 FADS1 (0.43) DDB1CRBNJAK2JAK3GBA1
SCHEMBL3407115 0.81 FADS1 (0.43) HPGDSDDB1CRBNJAK2JAK3

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 6 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 claimed
US-20090227583-A1 2-AMINOQUINOLINES F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2009-09-10 US claimed
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 2010/4885PDE4A 407/4885PDE4B 295/4885

“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.