SCHEMBL3554974

SCHEMBL3554974

Cc1ccc([N+](=O)[O-])cc1Nc1cc(-c2cncnc2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
MAPK10 P53779 1/20 0.48
GAA P10253 1/20 0.45
ABL1 P00519 2/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 6/20 0.42
MEN1 O00255 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
WDR5 P61964 1/20 0.41
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KAT2B Q92831 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 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
SCHEMBL783033 0.89 MAPK10 (0.49) ALDH1A1MAPK10GAAABL1
SCHEMBL3564749 0.85 ALDH1A1 (0.49) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL4885726 0.84 ALDH1A1 (0.49) ALDH1A1GAAABL1MAPTKMT2A
SCHEMBL13316448 0.81 ALDH1A1 (0.56) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL2572266 0.80 ABL1 (0.55) ALDH1A1GAAABL1MAPTKMT2A
SCHEMBL3562948 0.80 CYP1A2 (0.47) ALDH1A1GAAABL1KMT2AMEN1
SCHEMBL3565258 0.79 ALDH1A1 (0.53) ALDH1A1GAAMAPTKMT2AMEN1
SCHEMBL3562689 0.79 MAPK10 (0.54) MAPK10ABL1
SCHEMBL28949886 0.75 ALDH1A1 (0.54) ALDH1A1GAAMAPTKMT2AWDR5
SCHEMBL27651411 0.74 ALDH1A1 (0.39) ALDH1A1MAPTKMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3299358-A1 AMIDE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2018-03-28 EP disclosed
EP-1702917-B1 AMIDE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 2017-08-02 EP disclosed
US-7728131-B2 3-difluoromethyl-4-(4-methylpiperazin-1-ylmethyl)-N-{4-methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]phenyl}benzamide, having excellent tyrosine kinase inhibitory activity, used as therapeutic agent for leukemia NIPPON SHINYAKU CO., LTD. (JP) 2010-06-01 US disclosed
EP-1533304-B1 AMIDE DERIVATIVE NIPPON SHINYAKU CO LTD (JP) 2009-11-04 EP disclosed
US-7494997-B2 Amide derivative NIPPON SHINYAKU CO., LTD. (JP) 2009-02-24 US disclosed
US-20080293940-A1 Amide Derivative and Medicine NIPPON SHINYAKU CO., LTD. (JP) 2008-11-27 US disclosed
EP-1702917-A1 AMIDE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2006-09-20 EP disclosed
US-20060014742-A1 Amide derivative NIPPON SHINYAKU CO., LTD. (JP) 2006-01-19 US disclosed
EP-1533304-A1 AMIDE DERIVATIVE Nippon Shinyaku Co., Ltd. (JP) 2005-05-25 EP 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-20060014742-A1 Amide derivative ABL1, ABL2, BCR ALDH1A1 753/4885MAPK10 441/4885GAA 4289/4885
US-20080293940-A1 Amide Derivative and Medicine ABL2, ABL1, BCR ALDH1A1 518/4885MAPK10 453/4885GAA 2915/4885

“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.