SCHEMBL4965500

SCHEMBL4965500

NC(=O)c1[c]ccc(N2CCCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.46
UBE2T Q9NPD8 1/20 0.40
NPC1 O15118 1/20 0.38
MAPT P10636 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
GFER P55789 1/20 0.36
YWHAG P61981 1/20 0.36
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD11B1 P28845 1/20 0.36
IKBKB O14920 1/20 0.36

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
SCHEMBL2744801 0.98 PARP1 (0.47) PARP1UBE2TNPC1MAPTKDM4E
SCHEMBL2744076 0.87 KDM4E (0.41) PARP1MAPTKDM4EHSD17B10KMT2A
SCHEMBL2792634 0.86 CNR2 (0.36) PARP1KDM4EKMT2AALDH1A1GAA
SCHEMBL701826 0.86 HRH3 (0.44) KDM4EHSD17B10ALDH1A1IKBKBPRKD3
SCHEMBL2744970 0.86 PARP1 (0.49) PARP1KDM4EHSD17B10ALDH1A1HTT
SCHEMBL2744690 0.86 KDM4E (0.45) MAPTKDM4EHSD17B10KMT2AMEN1
SCHEMBL2792970 0.85 KDM4E (0.38) PARP1KDM4EALDH1A1BTK
SCHEMBL2794901 0.84 PARP1 (0.33) PARP1KDM4EKMT2AMEN1ALOX15
SCHEMBL3422656 0.84 SORD (0.47) NPC1MAPTKDM4EKMT2AMEN1
SCHEMBL3668358 0.84 MAP4K4 (0.47) MAPTKDM4EHSD17B10KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8071768-B2 Alkylquinoline and alkylquinazoline kinase modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2011-12-06 US disclosed
EP-1893214-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING ALKYLQUINOLINES AND ALKYLQUINAZOLINES JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-05 EP disclosed
EP-1893598-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-05 EP disclosed
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines JANSSEN PHARMACEUTICA, N.V. (BE) 2007-01-04 US disclosed
WO-2006135629-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING ALKYLQUINOLINES AND ALKYLQUINAZOLINES JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed
WO-2006135721-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed
US-20060281772-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 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-20060281772-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS FLT3, KIT, NTRK2 PARP1 355/4885UBE2T 2328/4885NPC1 2872/4885
US-20070004660-A1 Synergistic Modulation of Flt3 Kinase Using Alkylquinolines and Alkylquinazolines FLT3, MCL1, CDC42BPG PARP1 537/4885UBE2T 1687/4885NPC1 766/4885

“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.