SCHEMBL4183001

SCHEMBL4183001

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.57
▸ KMT2A Q03164 6/20 0.56
▸ NPC1 O15118 2/20 0.56
▸ RAB9A P51151 2/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ MGLL Q99685 2/20 0.54
▸ MEN1 O00255 5/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ MYOC Q99972 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ BCL9 O00512 1/20 0.50
▸ CTNNB1 P35222 1/20 0.50
▸ GAA P10253 3/20 0.49
▸ POLB P06746 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ THRB P10828 1/20 0.49
▸ GFER P55789 1/20 0.49
▸ TDP1 Q9NUW8 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
Hydrochloric Acid SCHEMBL4182996 0.99 MAPT (0.56) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3573967 0.86 MAPT (0.66) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL14601827 0.82 MAPT (0.57) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8776629 0.81 MAPT (0.59) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL18779728 0.80 MAPT (0.55) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4963324 0.80 MAPT (0.57) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL95959 0.80 KMT2A (0.57) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2082944 0.80 KMT2A (0.58) MAPTKMT2ANPC1RAB9ASMN1; SMN2
4-Nitrophenyl Phenylcarbamate SCHEMBL1434931 0.79 ALDH1A1 (0.62) MAPTKMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6261538 0.79 MAPT (0.62) MAPTKMT2ANPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-20090143378-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS GAUL MICHAEL DAVID 2009-06-04 — — US disclosed
CN-101242846-A Synergistic modulation of FLT3 kinase using thienopyrimidine and thienopyridine kinase modulators JANSSEN PHARMACEUTICA NV (BE) 2008-08-13 — — CN disclosed
EP-1899355-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES AS FLT-3 KINASE INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2008-03-19 — — EP disclosed
EP-1893215-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2008-03-05 — — EP disclosed
WO-2006135639-A1 THIΞNOPYRIMIDINE AND THIENOPYRIDINE DERIVATIVES AS FLT-3 KINASE INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 — — WO disclosed
WO-2006135630-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-12-21 — — WO 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-20060281768-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE 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 (4 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 1321/4885NPC1 4112/4885
US-20090163710-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS FLT3, TYMP, CDK2 MAPT 4347/4885KMT2A 1321/4885NPC1 4112/4885
US-20090143378-A1 THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS FLT3, TYMP, CDK2 MAPT 4347/4885KMT2A 1321/4885NPC1 4112/4885
US-20060281769-A1 SYNERGISTIC MODULATION OF FLT3 KINASE USING THIENOPYRIMIDINE AND THIENOPYRIDINE KINASE MODULATORS FLT3, TYMP, TPX2 MAPT 4600/4885KMT2A 1513/4885NPC1 1755/4885

“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.

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