SCHEMBL1241944

SCHEMBL1241944

Cc1ccc([N+](=O)[O-])cc1Nc1cc(Cl)ncn1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
WDR5 P61964 2/20 0.64
ALDH1A1 P00352 4/20 0.53
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.46
TNNI3K Q59H18 1/20 0.45
MCL1 Q07820 1/20 0.44
MAPT P10636 2/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KAT2B Q92831 1/20 0.43
LMNA P02545 2/20 0.43
MAPK14 Q16539 1/20 0.42

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
SCHEMBL5611128 0.99 KMT2A (0.62) KMT2AWDR5ALDH1A1GAAMEN1
SCHEMBL28949886 0.85 ALDH1A1 (0.54) KMT2AWDR5ALDH1A1GAAMAPT
SCHEMBL3565258 0.82 ALDH1A1 (0.53) KMT2AWDR5ALDH1A1GAAMEN1
SCHEMBL2205173 0.81 KMT2A (0.55) KMT2AWDR5ALDH1A1MEN1TNNI3K
SCHEMBL3564749 0.80 ALDH1A1 (0.49) KMT2AWDR5ALDH1A1GAAMEN1
SCHEMBL12481913 0.79 NPC1 (0.56) KMT2AWDR5MEN1MAPTLMNA
SCHEMBL13316448 0.78 ALDH1A1 (0.56) KMT2AALDH1A1GAAMEN1MAPT
SCHEMBL24429902 0.78 WDR5 (1.00) KMT2AWDR5ALDH1A1GAAMEN1
SCHEMBL29891078 0.78 WDR5 (1.00) KMT2AWDR5ALDH1A1GAAMEN1
SCHEMBL4263819 0.78 ALDH1A1 (0.55) KMT2AWDR5ALDH1A1GAAMEN1

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 11 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-7879853-B2 tyrosisne kinase inhibitors such as N-[4-(6-Dibenzofuran-4-yl-pyrimidin-4-ylamino)-phenyl]-4-morpholin-4-yl-benzamide, used as anticasrcinogenic or antoproliferative agents, especially in the treatment of breast cancer BAYER SCHERING PHARMA AG (DE) 2011-02-01 US 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-1763526-B1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS BAYER SCHERING PHARMA AG (DE) 2009-06-24 EP disclosed
US-20080293940-A1 Amide Derivative and Medicine NIPPON SHINYAKU CO., LTD. (JP) 2008-11-27 US disclosed
US-20070208034-A1 4,6-disubstituted pyrimidines and their use as protein kinase inhibitors ATLANTA PHARMA AG (DE) 2007-09-06 US disclosed
CN-1972934-A 4,6-disubstituted pyrimidines and their use as protein kinase inhibitors ALTANA PHARMA AG (DE) 2007-05-30 CN disclosed
EP-1763526-A1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS Altana Pharma AG (DE) 2007-03-21 EP disclosed
EP-1702917-A1 AMIDE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2006-09-20 EP disclosed
WO-2006000589-A1 4,6-DISUBSTITUTED PYRIMIDINES AND THEIR USE AS PROTEIN KINASE INHIBITORS ALTANA PHARMA AG (DE) 2006-01-05 WO 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-20070208034-A1 4,6-disubstituted pyrimidines and their use as protein kinase inhibitors CDK2, DCK, DTYMK KMT2A 2628/4885WDR5 1842/4885ALDH1A1 2113/4885
US-20080293940-A1 Amide Derivative and Medicine ABL2, ABL1, BCR KMT2A 410/4885WDR5 1982/4885ALDH1A1 518/4885

“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.