SCHEMBL3884016

SCHEMBL3884016

CC(C)c1ccc(NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.55
MEN1 O00255 7/20 0.55
MAPT P10636 6/20 0.55
RAB9A P51151 5/20 0.55
NPC1 O15118 4/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 2/20 0.54
MYOC Q99972 2/20 0.54
MAPK1 P28482 1/20 0.54
LMNA P02545 2/20 0.53
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
GAA P10253 3/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
MGLL Q99685 1/20 0.50
HPGD P15428 1/20 0.49
L3MBTL1 Q9Y468 1/20 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
SCHEMBL3573967 0.89 MAPT (0.66) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL3883385 0.86 MAPT (0.74) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL14601827 0.85 MAPT (0.57) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL2082944 0.85 KMT2A (0.58) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL8776629 0.83 MAPT (0.59) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL4112043 0.83 MEN1 (0.74) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL95959 0.82 KMT2A (0.57) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL4963324 0.82 MAPT (0.57) KMT2AMEN1MAPTRAB9ANPC1
SCHEMBL6261538 0.81 MAPT (0.62) KMT2AMEN1MAPTRAB9ANPC1
4-Nitrophenyl Phenylcarbamate SCHEMBL1434931 0.81 ALDH1A1 (0.62) KMT2AMEN1MAPTRAB9ANPC1

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 43 patents — showing the first 20. 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
US-8071768-B2 Alkylquinoline and alkylquinazoline kinase modulators JANSSEN PHARMACEUTICA, N.V. (BE) 2011-12-06 US disclosed
US-20090163710-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS GAUL MICHAEL DAVID 2009-06-25 US disclosed
US-20090163710-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS GAUL MICHAEL DAVID 2009-06-25 US disclosed
US-20090143378-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS GAUL MICHAEL DAVID 2009-06-04 US disclosed
US-20090143378-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS GAUL MICHAEL DAVID 2009-06-04 US disclosed
EP-1898917-B1 AMINOPYRIMIDINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-01-14 EP disclosed
EP-1898917-B1 AMINOPYRIMIDINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2009-01-14 EP disclosed
CN-101242846-A Synergistic modulation of FLT3 kinase using thienopyrimidine and thienopyridine kinase modulators JANSSEN PHARMACEUTICA NV (BE) 2008-08-13 CN disclosed
CN-101242838-A Synergistic modulation of FLT3 kinase using aminoquinoline and aminoquinazoline kinase modulators JANSSEN PHARMACEUTICA NV (BE) 2008-08-13 CN disclosed
WO-2006135719-A1 AMINOPYRIMIDINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed
WO-2006135649-A2 AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed
WO-2006135713-A2 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOPYRIMIDINES KINASE MODULATORS AND A FARNESYL TRANSFERASE INHIBITOR JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO 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-20060281755-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOPYRIMIDINES KINASE MODULATORS BAUMANN CHRISTIAN A 2006-12-14 US disclosed
US-20060281768-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 US disclosed
US-20060281771-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 US disclosed
US-20060281769-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 US 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 (7 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-20060281768-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS FLT3, TYMP, CDK2 KMT2A 1321/4885MEN1 2232/4885MAPT 4347/4885
US-20060281772-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS FLT3, KIT, NTRK2 KMT2A 444/4885MEN1 2144/4885MAPT 3562/4885
US-20060281771-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS FLT3, CDC42BPG, PRKCQ KMT2A 885/4885MEN1 2311/4885MAPT 4596/4885
US-20090163710-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS FLT3, TYMP, CDK2 KMT2A 1321/4885MEN1 2232/4885MAPT 4347/4885
US-20090143378-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS FLT3, TYMP, CDK2 KMT2A 1321/4885MEN1 2232/4885MAPT 4347/4885
US-20060281769-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS FLT3, TYMP, TPX2 KMT2A 1513/4885MEN1 2706/4885MAPT 4600/4885
US-20060281755-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOPYRIMIDINES KINASE MODULATORS FLT3, CSF3R, CSF1R KMT2A 1415/4885MEN1 2411/4885MAPT 4550/4885

“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.