SCHEMBL3056940

SCHEMBL3056940

Cc1cc(N[C@@H](C)c2ccccc2)c2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
HTT P42858 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP2C19 P33261 2/20 0.51
MAPT P10636 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NCF1 P14598 2/20 0.50
CYP1A2 P05177 2/20 0.50
GALR3 O60755 1/20 0.50
NR2F2 P24468 1/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CCNE2 O96020 3/20 0.49
CCNE1 P24864 3/20 0.49
CDK2 P24941 3/20 0.49
CDK4 P11802 2/20 0.49
CCND1 P24385 2/20 0.49

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
SCHEMBL19009075 0.85 NR4A2 (0.59) MEN1HTTKMT2ACYP2C19MAPT
SCHEMBL28511396 0.85 KMT2A (0.67) MEN1HTTKMT2AMAPTTDP1
SCHEMBL30148662 0.80 SOS1 (0.46) CYP2C19L3MBTL1CCNE2CCNE1CDK2
SCHEMBL30014678 0.79 SOS1 (0.70) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL1238925 0.76 CYP1A2 (0.60) MEN1HTTKMT2ACYP2C19MAPT
SCHEMBL30307409 0.76 GALR3 (0.59) MEN1HTTKMT2AMAPTGALR3
SCHEMBL30594935 0.76 SOS1 (0.49) L3MBTL1
SCHEMBL14451007 0.75 NUDT1 (0.56) MEN1HTTKMT2AMAPTL3MBTL1
SCHEMBL12763789 0.75 TLR7 (0.66) MEN1HTTKMT2ACYP2C19L3MBTL1
SCHEMBL4903031 0.75 NQO2 (0.59) MEN1HTTKMT2ACYP2C19MAPT

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 MEN1 1704/4885HTT 2044/4885KMT2A 1738/4885

“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.