SCHEMBL6979719

SCHEMBL6979719

C/C=N/N(C)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 11/20 0.47
KMT2A Q03164 11/20 0.47
MAPT P10636 11/20 0.47
TDP1 Q9NUW8 5/20 0.47
SMN1; SMN2 Q16637 7/20 0.44
RAB9A P51151 6/20 0.44
ALDH1A1 P00352 6/20 0.44
NPC1 O15118 5/20 0.44
MAPK1 P28482 4/20 0.44
HPGD P15428 1/20 0.44
POLB P06746 1/20 0.44
LMNA P02545 3/20 0.42
RELA Q04206 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX12 P18054 2/20 0.40
HCRTR1 O43613 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL12667811 1.00 MEN1 (0.47) MEN1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL9515353 1.00 MEN1 (0.47) MEN1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL22701979 0.79 ALDH1A1 (0.48) MEN1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL13681260 0.78 ALDH1A1 (0.48) MEN1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL14423827 0.78 ALDH1A1 (0.48) MEN1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL22473651 0.77 MAPT (0.45) MEN1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL8494529 0.77 MAPT (0.57) MEN1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL8494526 0.77 MAPT (0.57) MEN1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL22449456 0.76 MAPT (0.44) MEN1KMT2AMAPTTDP1SMN1; SMN2
SCHEMBL6960272 0.76 MEN1 (0.44) MEN1KMT2AMAPTTDP1SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349857-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2013-01-08 US disclosed
US-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 US disclosed
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 US disclosed
US-7967872-B2 Azo quinolinium compounds comprising a disulphide/thiol unit, compositions containing same, process for dyeing keratin fibres and device L'OREAL S.A. (FR) 2011-06-28 US disclosed
US-20100263139-A1 AZO QUINOLINIUM COMPOUNDS COMPRISING A DISULPHIDE/THIOL UNIT, COMPOSITIONS CONTAINING SAME, PROCESS FOR DYEING KERATIN FIBRES AND DEVICE L'OREAL S.A. (FR) 2010-10-21 US disclosed
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2009-06-04 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 (3 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-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 MEN1 3302/4885KMT2A 1949/4885MAPT 4100/4885
US-20100263139-A1 AZO QUINOLINIUM COMPOUNDS COMPRISING A DISULPHIDE/THIOL UNIT, COMPOSITIONS CONTAINING SAME, PROCESS FOR DYEING KERATIN FIBRES AND DEVICE KRT18, SQOR, DSG1 MEN1 4073/4885KMT2A 1374/4885MAPT 509/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 MEN1 3302/4885KMT2A 1949/4885MAPT 4100/4885

“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.