SCHEMBL4893822

SCHEMBL4893822

O=C(Nc1csnc1C(=O)O)c1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
TDP1 Q9NUW8 2/20 0.50
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
P4HTM Q9NXG6 1/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.46
KCNMA1 Q12791 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46

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
SCHEMBL4891575 0.84 MEN1 (0.49) KMT2AMEN1HTTLMNAGAA
SCHEMBL4934571 0.81 MEN1 (0.50) KMT2AMEN1TDP1NPC1RAB9A
SCHEMBL2804529 0.75 L3MBTL1 (0.52) KMT2AMEN1TDP1NPC1RAB9A
SCHEMBL14855912 0.74 L3MBTL1 (0.61) KMT2AMEN1TDP1NPC1RAB9A
SCHEMBL15463572 0.73 HTT (0.70) KMT2AMEN1TDP1NPC1RAB9A
SCHEMBL4924390 0.73 KMT2A (0.55) KMT2AMEN1RAB9AHTTSMN1; SMN2
SCHEMBL3616663 0.70 SMN1; SMN2 (0.50) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL4898095 0.70 POLB (0.47) KMT2AMEN1NPC1RAB9AHTT
SCHEMBL4363732 0.70 MEN1 (0.89) KMT2AMEN1TDP1NPC1RAB9A
SCHEMBL27471728 0.70 MEN1 (0.74) KMT2AMEN1TDP1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312223-A1 Thiazole And Isothiazole Derivatives That Modulate The Activity Of CDK, GSK And Aurora Kinases ASTEX THERAPEUTICS LIMITED (GB) 2008-12-18 US disclosed
EP-1836199-A1 THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACTIVITY OF CDK, GSK AND AURORA KINASES Astex Therapeutics Limited (GB) 2007-09-26 EP disclosed
WO-2006070192-A1 THIAZOLE AND ISOTHIAZOLE DERIVATIVES THAT MODULATE THE ACIVITY OF CDK, GSK AND AURORA KYNASES ASTEX THERAPEUTICS LIMITED (GB) 2006-07-06 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 (1 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-20080312223-A1 Thiazole And Isothiazole Derivatives That Modulate The Activity Of CDK, GSK And Aurora Kinases CDK1, CDK8, CDK2 KMT2A 458/4885MEN1 1524/4885TDP1 1583/4885

“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.