SCHEMBL4200974

SCHEMBL4200974

Clc1ccc2cc(Cc3ccccc3)c(Cl)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
ALOX15 P16050 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.50
NPSR1 Q6W5P4 1/20 0.44
MAPT P10636 3/20 0.42
ALDH1A1 P00352 2/20 0.41
GFER P55789 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
KDM4E B2RXH2 1/20 0.40
EGFR P00533 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39
NR4A2 P43354 1/20 0.39
BCL2 P10415 1/20 0.38
BCL2L1 Q07817 1/20 0.38

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
SCHEMBL13227193 0.87 MAPT (0.51) KMT2AMEN1CYP3A4HPGDALOX15
SCHEMBL3954275 0.85 KMT2A (0.66) KMT2AMEN1CYP3A4HPGDALOX15
SCHEMBL4198980 0.84 MEN1 (0.47) KMT2AMEN1CYP3A4HPGDALOX15
SCHEMBL11982909 0.84 KMT2A (0.45) KMT2AMEN1CYP3A4HPGDALOX15
SCHEMBL4194871 0.82 KMT2A (0.45) KMT2AMEN1CYP3A4HPGDALOX15
SCHEMBL4208885 0.78 MEN1 (0.44) KMT2AMEN1CYP3A4HPGDALOX15
SCHEMBL13136441 0.77 KMT2A (0.44) KMT2AMEN1CYP3A4HIF1ANPSR1
SCHEMBL15358899 0.77 KMT2A (0.42) KMT2AMEN1CYP3A4HPGDALOX15
SCHEMBL13356469 0.75 MAPT (0.49) KMT2AMEN1CYP3A4HPGDALOX15
SCHEMBL13356431 0.75 MAPT (0.49) KMT2AMEN1CYP3A4HPGDALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090028858-A1 SUBSTITUTED QUINOLINE DERIVATIVES NOVARTIS VACCINES AND DIAGNOTICS, INC. 2009-01-29 US disclosed
US-20090028858-A1 SUBSTITUTED QUINOLINE DERIVATIVES NOVARTIS VACCINES AND DIAGNOTICS, INC. 2009-01-29 US disclosed
US-20090028858-A1 SUBSTITUTED QUINOLINE DERIVATIVES NOVARTIS VACCINES AND DIAGNOTICS, INC. 2009-01-29 US disclosed
US-7452996-B2 Substituted quinoline derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-11-18 US disclosed
US-7452996-B2 Substituted quinoline derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-11-18 US disclosed
US-7452996-B2 Substituted quinoline derivatives NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-11-18 US disclosed
EP-1753723-B1 SUBSTITUTED QUINOLINE DERIVATIVES AS MITOTIC KINESIN INHIBITORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-08-13 EP disclosed
EP-1753723-B1 SUBSTITUTED QUINOLINE DERIVATIVES AS MITOTIC KINESIN INHIBITORS NOVARTIS VACCINES & DIAGNOSTIC (US) 2008-08-13 EP disclosed
EP-1753723-A1 SUBSTITUTED QUINOLINE DERIVATIVES AS MITOTIC KINESIN INHIBITORS Novartis Vaccines and Diagnostics, Inc. (US) 2007-02-21 EP disclosed
WO-2005113507-A1 SUBSTITUTED QUINOLINE DERIVATIVES AS MITOTIC KINESIN INHIBITORS NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) 2005-12-01 WO disclosed
US-20050261337-A1 N-(3-aminopropyl)-N- [1-(3-benzylquinolin-2-yl)- 2-methylpropyl]-3-fluoro-4-methylbenzamide; cancer; disorder mediated, at least in part by kinesin-related proteins WANG WEIBO 2005-11-24 US 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 (2 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-20090028858-A1 SUBSTITUTED QUINOLINE DERIVATIVES ABCG2, ABCB1, UGT2B7 KMT2A 2420/4885MEN1 1972/4885CYP3A4 15/4885
US-20050261337-A1 N-(3-aminopropyl)-N- [1-(3-benzylquinolin-2-yl)- 2-methylpropyl]-3-fluoro-4-methylbenzamide; cancer; disorder mediated, at least in part by kinesin-related proteins KIF5B, KIF2C, KIF5C KMT2A 429/4885MEN1 3090/4885CYP3A4 4354/4885

“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.