SCHEMBL3883385

SCHEMBL3883385

CC(C)Oc1ccc(NC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.74
KMT2A Q03164 7/20 0.74
MEN1 O00255 6/20 0.74
NPC1 O15118 3/20 0.74
RAB9A P51151 3/20 0.74
HTT P42858 2/20 0.74
LMNA P02545 3/20 0.68
GAA P10253 3/20 0.68
ALDH1A1 P00352 2/20 0.68
TP53 P04637 1/20 0.68
HTR2A P28223 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.55
MAPK1 P28482 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
MYOC Q99972 1/20 0.54
ATM Q13315 1/20 0.53
GLA P06280 1/20 0.52
MGLL Q99685 1/20 0.50
POLB P06746 1/20 0.48

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) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL4112213 0.87 MEN1 (0.80) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL3884016 0.86 KMT2A (0.55) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL14601827 0.85 MAPT (0.57) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL8776629 0.83 MAPT (0.59) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL2082944 0.82 KMT2A (0.58) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL95959 0.82 KMT2A (0.57) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL4963324 0.82 MAPT (0.57) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL2475788 0.81 ALDH1A1 (1.00) MAPTKMT2AMEN1NPC1RAB9A
SCHEMBL6261538 0.81 MAPT (0.62) MAPTKMT2AMEN1NPC1RAB9A

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 51 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-101242847-A Synergistic modulation of FLT3 kinase using aminopyrimidines kinase modulators JANSSEN PHARMACEUTICA NV (BE) 2008-08-13 CN disclosed
CN-101242837-A Synergistic modulation of FLT3 kinase with aminopyrimidine kinase modulators and farnesyl transferase inhibitors JANSSEN PHARMACEUTICA NV (BE) 2008-08-13 CN disclosed
WO-2006135644-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-2006135719-A1 AMINOPYRIMIDINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 WO disclosed
US-20060281764-A1 AMINOPYRIMIDINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 US disclosed
US-20060281700-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOPYRIMIDINES KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-12-14 US 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 (9 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 MAPT 4347/4885KMT2A 1321/4885MEN1 2232/4885
US-20060281772-A1 ALKYLQUINOLINE AND ALKYLQUINAZOLINE KINASE MODULATORS FLT3, KIT, NTRK2 MAPT 3562/4885KMT2A 444/4885MEN1 2144/4885
US-20060281771-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOQUINOLINE AND AMINOQUINAZOLINE KINASE MODULATORS FLT3, CDC42BPG, PRKCQ MAPT 4596/4885KMT2A 885/4885MEN1 2311/4885
US-20090163710-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS FLT3, TYMP, CDK2 MAPT 4347/4885KMT2A 1321/4885MEN1 2232/4885
US-20090143378-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS FLT3, TYMP, CDK2 MAPT 4347/4885KMT2A 1321/4885MEN1 2232/4885
US-20060281769-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS FLT3, TYMP, TPX2 MAPT 4600/4885KMT2A 1513/4885MEN1 2706/4885
US-20060281764-A1 AMINOPYRIMIDINES AS KINASE MODULATORS FLT3, KIT, TYMP MAPT 2743/4885KMT2A 612/4885MEN1 3502/4885
US-20060281755-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOPYRIMIDINES KINASE MODULATORS FLT3, CSF3R, CSF1R MAPT 4550/4885KMT2A 1415/4885MEN1 2411/4885
US-20060281700-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOPYRIMIDINES KINASE MODULATORS FLT3, TYMP, PHKG1 MAPT 4496/4885KMT2A 1222/4885MEN1 2272/4885

“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.