SCHEMBL3059015

SCHEMBL3059015

Cc1cc(NCc2ccc(Cl)c(Cl)c2)c2ccccc2n1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD38 P28907 2/20 0.61
CYP2C19 P33261 1/20 0.54
NCF1 P14598 3/20 0.53
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
USP1 O94782 2/20 0.49
WDR48 Q8TAF3 2/20 0.49
OPRK1 P41145 1/20 0.49
ACP1 P24666 2/20 0.48
GALR3 O60755 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
GPR35 Q9HC97 1/20 0.46

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
SCHEMBL3056723 0.86 ACP1 (0.62) CD38CYP2C19NCF1MEN1KMT2A
SCHEMBL3058825 0.84 CYP2C19 (0.64) CD38CYP2C19NCF1MEN1KMT2A
SCHEMBL8116318 0.84 CD38 (0.47) CD38NCF1MEN1KMT2AUSP1
SCHEMBL3055096 0.83 CD38 (0.73) CD38
SCHEMBL3050042 0.82 CD38 (0.72) CD38MEN1KMT2A
SCHEMBL3058717 0.81 MEN1 (0.67) CD38CYP2C19NCF1MEN1KMT2A
SCHEMBL4829960 0.80 NCF1 (0.56) CD38CYP2C19NCF1MEN1KMT2A
SCHEMBL8106886 0.80 CD38 (0.69) CD38
SCHEMBL3050756 0.80 CD38 (0.69) CD38
SCHEMBL3041397 0.80 CD38 (0.72) CD38

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 9 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-8420670-B2 4-benzylaminoquinolines, pharmaceutical compositions containing them, and their use in therapy ABBOTT LABORATORIES (US) 2013-04-16 US disclosed
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
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
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
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 779/4885CYP2C19 39/4885NCF1 2287/4885

“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.