SCHEMBL4418323

SCHEMBL4418323

CC(C)n1nc(-c2cccs2)cc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.60
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
SMN1; SMN2 Q16637 1/20 0.55
RET P07949 1/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 1/20 0.42
APOBEC3A P31941 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.40
POLB P06746 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2A P29274 1/20 0.40

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
SCHEMBL4416586 0.82 ALDH1A1 (0.62) L3MBTL1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL17593064 0.78 PHGDH (0.50) KMT2ASMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL3064335 0.78 L3MBTL1 (0.56) L3MBTL1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL10103716 0.77 RET (0.46) L3MBTL1KMT2AMEN1SMN1; SMN2RET
SCHEMBL595201 0.76 ALDH1A1 (0.57) L3MBTL1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL25434631 0.75 HDAC6 (0.43) KMT2AALDH1A1GAAPOLB
SCHEMBL27758221 0.73 SMN1; SMN2 (0.39) L3MBTL1KMT2AMEN1SMN1; SMN2RET
SCHEMBL25434077 0.73 KDM4E (0.48) L3MBTL1KMT2ARETKDM4EALDH1A1
SCHEMBL25433886 0.72 RET (0.46) RETKDM4EALDH1A1HTTGAA
SCHEMBL3743330 0.71 SMN1; SMN2 (0.51) L3MBTL1KMT2AMEN1SMN1; SMN2RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-11-15 US disclosed
US-8188113-B2 For example, 1-(5-(2-amino-8-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)-2-fluorophenyl)-3-(3-tert-butyl-1-phenyl-1H-pyrazol-5-yl)urea; for treatment of mammalian cancers and inflammatory diseases including rheumatoid arthritis, retinopathies DECIPHERA PHARMACEUTICALS, INC. (US) 2012-05-29 US disclosed
CN-101553232-A Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PHARMACEUTICALS LLC (US) 2009-10-07 CN disclosed
EP-2063897-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2009-06-03 EP disclosed
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases DECIPHERA PARMACEUTICALS, LLC (US) 2008-05-15 US disclosed
WO-2008034008-A2 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC. (US) 2008-03-20 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-20120289540-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES BRAF, PRKDC, RAF1 L3MBTL1 2211/4885KMT2A 1762/4885MEN1 880/4885
US-20080114006-A1 Kinase inhibitors useful for the treatment of proliferative diseases BRAF, PRKDC, RAF1 L3MBTL1 2211/4885KMT2A 1762/4885MEN1 880/4885

“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.