SCHEMBL3055352

SCHEMBL3055352

Cc1cc(NCc2ccc(-c3cccc(-c4nnn[nH]4)c3)cc2)c2ccccc2n1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 5/20 0.45
CYP2C19 P33261 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NCF1 P14598 3/20 0.42
CD38 P28907 1/20 0.42
PDE7A Q13946 1/20 0.41
PDE7B Q9NP56 1/20 0.41
AGTR1 P30556 2/20 0.41
AGTR2 P50052 2/20 0.41
GPR35 Q9HC97 1/20 0.40
OPRK1 P41145 1/20 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
SCHEMBL3058746 0.87 AGTR1 (0.50) ACP1CYP2C19MEN1KMT2ANCF1
SCHEMBL9709621 0.79 AGTR1 (0.44) MEN1KMT2ACD38AGTR1AGTR2
SCHEMBL3054345 0.77 CD38 (0.53) ACP1CYP2C19MEN1KMT2ACD38
SCHEMBL9709904 0.77 AGTR1 (0.46) ACP1CYP2C19MEN1KMT2AAGTR1
SCHEMBL9709642 0.77 AGTR1 (0.48) MEN1KMT2ACD38AGTR1AGTR2
SCHEMBL3058825 0.76 CYP2C19 (0.64) ACP1CYP2C19MEN1KMT2ANCF1
SCHEMBL9709854 0.76 MEN1 (0.63) ACP1MEN1KMT2ANCF1AGTR1
SCHEMBL9709759 0.76 AGTR1 (0.45) ACP1MEN1KMT2AAGTR1AGTR2
SCHEMBL9709757 0.75 AGTR1 (0.52) ACP1NCF1AGTR1AGTR2
SCHEMBL9709600 0.75 AGTR1 (0.48) MEN1KMT2ACD38AGTR1AGTR2

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 ACP1 4703/4885CYP2C19 39/4885MEN1 1704/4885

“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.