SCHEMBL4194871

SCHEMBL4194871

O=Cc1nc2cc(Cl)ccc2cc1Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CYP3A4 P08684 1/20 0.45
HPGD P15428 1/20 0.45
ALOX15 P16050 1/20 0.45
HIF1A Q16665 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 2/20 0.38
RXFP1 Q9HBX9 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
VDR P11473 1/20 0.37
KDM4E B2RXH2 1/20 0.37
JAK2 O60674 1/20 0.37
HSP90AA1 P07900 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL4200974 0.82 KMT2A (0.50) KMT2AMEN1CYP3A4HPGDALOX15
SCHEMBL4198980 0.79 MEN1 (0.47) KMT2AMEN1CYP3A4HPGDALOX15
SCHEMBL18795129 0.76 TDP1 (0.48) ALOX15HSD17B10TDP1LMNARXFP1
SCHEMBL10808828 0.73 MEN1 (0.59) KMT2AMEN1CYP3A4HPGDALOX15
SCHEMBL4208885 0.73 MEN1 (0.44) KMT2AMEN1CYP3A4HPGDALOX15
SCHEMBL5501071 0.70 MEN1 (0.42) KMT2AMEN1CYP3A4HPGDALOX15
SCHEMBL13227193 0.70 MAPT (0.51) KMT2AMEN1CYP3A4HPGDALOX15
SCHEMBL28182439 0.69 MEN1 (0.57) KMT2AMEN1CYP3A4HPGDALOX15
SCHEMBL31325782 0.69 L3MBTL1 (0.43) KMT2AMEN1CYP3A4HPGDALOX15
SCHEMBL28277834 0.68 POLB (0.45) KMT2ATDP1KDM4EGAATUBB4A

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 12 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
CN-1956960-A Substituted quinoline derivatives as mitotic kinesin inhibitors CHIRON CORP (US) 2007-05-02 CN 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.