SCHEMBL6168942

SCHEMBL6168942

COc1cnc(S)[nH]c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.53
KDM4E B2RXH2 4/20 0.49
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 3/20 0.43
GRIN2D O15399 2/20 0.41
GRIN3B O60391 2/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
GRIN2C Q14957 2/20 0.41
GRIN3A Q8TCU5 2/20 0.41
PDE3B Q13370 4/20 0.34
PDE3A Q14432 4/20 0.34
HPGD P15428 2/20 0.34
GCK P35557 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
SCHEMBL26669557 0.78 RECQL (0.54) RECQLKDM4EPOLBSMN1; SMN2LMNA
SCHEMBL2433371 0.76 RECQL (0.53) RECQLKDM4EPOLBSMN1; SMN2LMNA
SCHEMBL31685547 0.76 RECQL (0.53) RECQLKDM4EPOLBSMN1; SMN2LMNA
SCHEMBL23222270 0.73 KDM4E (0.51) RECQLKDM4EPOLBSMN1; SMN2LMNA
SCHEMBL11900387 0.73 LMNA (0.59) RECQLKDM4EPOLBSMN1; SMN2LMNA
SCHEMBL10332862 0.72 RECQL (0.49) RECQLKDM4EPOLBSMN1; SMN2LMNA
SCHEMBL20665627 0.72 RECQL (0.49) RECQLKDM4EPOLBSMN1; SMN2LMNA
SCHEMBL1442774 0.72 RECQL (0.49) RECQLKDM4EPOLBSMN1; SMN2LMNA
SCHEMBL5207036 0.71 KDM4C (0.39) SMN1; SMN2LMNATDP1L3MBTL1
SCHEMBL5207646 0.71 KDM4C (0.41) KDM4EPOLBSMN1; SMN2LMNAHTT

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
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-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-20100016318-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE SMITHKLINE BEECHAM CORPORATION (US) 2010-01-21 US 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
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
US-20080182852-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE GLAXOSMITHKLINE LLC 2008-07-31 US disclosed
US-20080182852-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE GLAXOSMITHKLINE LLC 2008-07-31 US disclosed
US-20050202973-A1 Aryl-alkyne compounds as herbicides SYNGENTA CROP PROTECTION, INC. 2005-09-15 US disclosed
EP-1507768-A1 ARYL-ALKYNE COMPOUNDS AS HERBICIDES Syngenta Participations AG (CH) 2005-02-23 EP disclosed
WO-2003087067-A1 ARYL-ALKYNE COMPOUNDS AS HERBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2003-10-23 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 (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 RECQL 329/4885KDM4E 775/4885POLB 2242/4885
US-20100016318-A1 ANTHRANILAMIDE INHIBITORS OF AURORA KINASE AURKA, AURKC, AURKB RECQL 266/4885KDM4E 790/4885POLB 2327/4885
US-20050202973-A1 Aryl-alkyne compounds as herbicides ALK, AGT, AHR RECQL 463/4885KDM4E 1098/4885POLB 4265/4885

“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.