SCHEMBL3059176

SCHEMBL3059176

COc1cccc2c(NCc3ccccc3C)cc(C)nc12

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CD38 P28907 9/20 0.65
▸ GFER P55789 1/20 0.54
▸ GAA P10253 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ SLC2A1 P11166 1/20 0.50
▸ CYP3A4 P08684 4/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ PIK3CD O00329 1/20 0.48
▸ HTT P42858 3/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47

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
Hydrochloric Acid SCHEMBL10434843 0.99 CD38 (0.64) CD38GFERGAAMAPTHPGD
SCHEMBL3059104 0.93 GFER (0.56) CD38GFERGAAMAPTHPGD
SCHEMBL3055371 0.92 CD38 (0.55) CD38GFERGAASLC2A1CYP3A4
SCHEMBL9359849 0.90 CD38 (0.65) CD38GFERGAAKDM4ESLC2A1
SCHEMBL3055838 0.89 CD38 (0.55) CD38GFERGAAKDM4ESLC2A1
SCHEMBL3050084 0.88 CD38 (0.51) CD38GFERGAAMAPTKDM4E
SCHEMBL3052328 0.88 GAA (0.52) CD38GFERGAAMAPTKDM4E
SCHEMBL3061233 0.88 CD38 (0.66) CD38GFERGAAMAPTHPGD
SCHEMBL3062165 0.88 CD38 (0.66) CD38GFERKDM4ESLC2A1CYP3A4
SCHEMBL3047709 0.88 L3MBTL1 (0.52) CD38GFERGAAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420670-B2 4-benzylaminoquinolines, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2013-04-16 — — US claimed
US-20100222346-A1 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-09-02 — — US claimed
EP-2178842-A2 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE Abbott GmbH & Co. KG (DE) 2010-04-28 — — EP claimed
WO-2009024611-A2 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2009-02-26 — — WO claimed
US-8420670-B2 4-benzylaminoquinolines, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2013-04-16 — — US disclosed
US-20100222346-A1 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-09-02 — — US disclosed
EP-2178842-A2 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE Abbott GmbH & Co. KG (DE) 2010-04-28 — — EP disclosed
WO-2009024611-A2 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE ABBOTT GMBH & CO. KG (DE) 2009-02-26 — — 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-20100222346-A1 4-BENZYLAMINOQUINOLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE IN THERAPY GDI2, GDI1, NQO2 CD38 779/4885GFER 3933/4885GAA 53/4885

“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.

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