SCHEMBL3048995

SCHEMBL3048995

Cc1cc(NCc2ccc(Cl)c(Cl)c2)c2cccc(OCCNc3ccccc3)c2n1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CD38 P28907 14/20 0.58
CYP3A4 P08684 2/20 0.42
KCNH2 Q12809 1/20 0.42
SLC2A1 P11166 1/20 0.42
NR4A2 P43354 1/20 0.42
USP1 O94782 1/20 0.41
WDR48 Q8TAF3 1/20 0.41
NCF1 P14598 1/20 0.41
MCHR1 Q99705 1/20 0.41

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
SCHEMBL3055540 0.88 CD38 (0.62) CD38CYP3A4KCNH2SLC2A1NR4A2
SCHEMBL3046223 0.87 CD38 (0.64) CD38CYP3A4KCNH2NR4A2
SCHEMBL3049143 0.87 CD38 (0.61) CD38CYP3A4KCNH2SLC2A1NR4A2
SCHEMBL3046044 0.87 CD38 (0.61) CD38CYP3A4KCNH2SLC2A1NR4A2
SCHEMBL3048795 0.86 CD38 (0.56) CD38CYP3A4KCNH2SLC2A1NR4A2
Hydrochloric Acid SCHEMBL3058772 0.86 CD38 (0.63) CD38CYP3A4KCNH2NR4A2
SCHEMBL8104854 0.86 CD38 (0.55) CD38CYP3A4KCNH2
SCHEMBL3048992 0.86 CD38 (0.60) CD38CYP3A4KCNH2MCHR1
SCHEMBL8105729 0.85 CD38 (0.59) CD38CYP3A4KCNH2SLC2A1NR4A2
SCHEMBL3050055 0.85 CD38 (0.64) CD38CYP3A4KCNH2

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-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 779/4885CYP3A4 31/4885KCNH2 650/4885

“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.