SCHEMBL1203340

SCHEMBL1203340

c1ccc(CSc2ncccc2C2=NOCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
CYP2C9 P11712 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HSD17B10 Q99714 1/20 0.43
PKM P14618 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 2/20 0.38
METAP1 P53582 1/20 0.38
HTT P42858 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
GAA P10253 1/20 0.35
SLC22A12 Q96S37 1/20 0.34

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
SCHEMBL4355515 0.81 POLB (0.44) ALDH1A1MEN1KMT2AHSD17B10L3MBTL1
SCHEMBL2990110 0.81 ALDH1A1 (0.46) ALDH1A1CYP2C9MEN1KMT2AHSD17B10
SCHEMBL10414873 0.75 ALDH1A1 (0.58) ALDH1A1CYP2C9MEN1KMT2AHSD17B10
SCHEMBL28319827 0.71 ALDH1A1 (0.50) ALDH1A1CYP2C9MEN1KMT2AHSD17B10
SCHEMBL14854458 0.70 MKNK1 (0.41)
SCHEMBL1202884 0.69 NPC1 (0.36) ALDH1A1CYP2C9MEN1KMT2APKM
SCHEMBL8115003 0.67 ALDH1A1 (0.59) ALDH1A1CYP2C9MEN1KMT2AHSD17B10
SCHEMBL5953902 0.67 ALDH1A1 (0.64) ALDH1A1CYP2C9MEN1KMT2AHSD17B10
SCHEMBL30646274 0.67 ALDH1A1 (0.59) ALDH1A1CYP2C9MEN1KMT2AHSD17B10
SCHEMBL8876086 0.67 ALDH1A1 (0.59) ALDH1A1CYP2C9MEN1KMT2AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884098-B2 2-{[5-Fluoro-2-({3-[2-(4-morpholinyl)ethyl]phenyl}amino)-4-pyrimidinyl]amino}-N-(2-hydroxyethyl)benzamide, useful in the treatment of cancer GLAXOSMITHKLINE LLC (US) 2011-02-08 US claimed
US-20100016318-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE SMITHKLINE BEECHAM CORPORATION (US) 2010-01-21 US claimed
US-7884098-B2 2-{[5-Fluoro-2-({3-[2-(4-morpholinyl)ethyl]phenyl}amino)-4-pyrimidinyl]amino}-N-(2-hydroxyethyl)benzamide, useful in the treatment of cancer GLAXOSMITHKLINE LLC (US) 2011-02-08 US disclosed
US-20110028318-A1 HERBICIDAL COMPOUNDS BASED ON N-AZINYL-N'-PYRIDYLSULPHONYLUREAS BAYER CROPSCIENCE AG (DE) 2011-02-03 US disclosed
US-20110028318-A1 HERBICIDAL COMPOUNDS BASED ON N-AZINYL-N'-PYRIDYLSULPHONYLUREAS BAYER CROPSCIENCE AG (DE) 2011-02-03 US disclosed
CN-101903379-A Herbicidal compound based on N-azine group-N '-pyridyl sulfonylurea BAYER CROPSCIENCE AG 2010-12-01 CN disclosed
EP-2225234-A1 HERBICIDAL COMPOUNDS BASED ON N-AZINYL-N'-PYRIDYLSULPHONYLUREAS Bayer CropScience Aktiengesellschaft (DE) 2010-09-08 EP disclosed
US-20100016318-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE SMITHKLINE BEECHAM CORPORATION (US) 2010-01-21 US disclosed
US-7625903-B2 Anticancer agent; N-(1-methylethyl)-2-[(5-methyl-2-{[3-(4-methyl-2-oxo-1-piperazinyl)phenyl]amino}-4-pyrimidinyl)amino]benzamide SMITHKLINE BEECHAM CORPORATION (US) 2009-12-01 US disclosed
WO-2009080182-A1 HERBICIDAL COMPOUNDS BASED ON N-AZINYL-N'-PYRIDYLSULPHONYLUREAS BAYER CROPSCIENCE AG (DE) 2009-07-02 WO disclosed
WO-2009080182-A1 HERBICIDAL COMPOUNDS BASED ON N-AZINYL-N'-PYRIDYLSULPHONYLUREAS BAYER CROPSCIENCE AG (DE) 2009-07-02 WO disclosed
EP-2072512-A1 Herbicide compounds based on N-Azinyl-N'-pyridylsulfonyl-ureas Bayer CropScience AG (DE) 2009-06-24 EP disclosed
EP-2072512-A1 Herbicide compounds based on N-Azinyl-N'-pyridylsulfonyl-ureas Bayer CropScience AG (DE) 2009-06-24 EP disclosed
US-20080182852-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE GLAXOSMITHKLINE LLC 2008-07-31 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-20080182852-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE AURKA, AURKC, AURKB ALDH1A1 3182/4885CYP2C9 3987/4885MEN1 903/4885
US-20100016318-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE AURKA, AURKC, AURKB ALDH1A1 2849/4885CYP2C9 3669/4885MEN1 1046/4885
US-20110028318-A1 HERBICIDAL COMPOUNDS BASED ON N-AZINYL-N'-PYRIDYLSULPHONYLUREAS DDT, AZI2, DNPH1 ALDH1A1 133/4885CYP2C9 662/4885MEN1 4384/4885

“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.