SCHEMBL543690

SCHEMBL543690

NS(=O)(=O)c1cccc(Nc2ncco2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 1/20 0.58
CA9 Q16790 2/20 0.51
JAK3 P52333 2/20 0.47
JAK1 P23458 1/20 0.47
SYK P43405 2/20 0.47
CA2 P00918 5/20 0.47
CA1 P00915 4/20 0.47
TNNI3K Q59H18 1/20 0.46
KMT2A Q03164 1/20 0.46
CDK1 P06493 5/20 0.46
CCNT1 O60563 4/20 0.46
CCNB1 P14635 4/20 0.46
CDK9 P50750 4/20 0.46
JAK2 O60674 1/20 0.46
CDK2 P24941 4/20 0.45
CCNA2 P20248 2/20 0.45
CCNE1 P24864 2/20 0.45
CCND3 P30281 1/20 0.45
FLT3 P36888 1/20 0.45
CDK6 Q00534 1/20 0.45

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
SCHEMBL11883783 0.82 CA1 (0.54) ROCK1CA9CA2CA1CDK1
SCHEMBL544111 0.77 MEN1 (0.50) ROCK1SYKKMT2ACDK2CDK5
SCHEMBL30557958 0.77 ROCK1 (0.61) ROCK1CA9JAK3JAK1SYK
SCHEMBL544521 0.74 KIF11 (0.45) ROCK1MAPT
SCHEMBL4532117 0.74 EGFR (0.50)
SCHEMBL12968948 0.73 ROCK1 (1.00) ROCK1CA9JAK3JAK1SYK
SCHEMBL543837 0.72 HDAC3 (0.42) MAPT
SCHEMBL544110 0.72 NPC1 (0.44) ROCK1
SCHEMBL729232 0.72 FLT1 (0.46) ROCK1KMT2ACDK1CDK2LYN
SCHEMBL12325169 0.72 ROCK1 (0.62) ROCK1CA9JAK3JAK1SYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110591-B2 2-aminoaryloxazole compounds as tyrosine kinase inhibitors AB SCIENCE (FR) 2012-02-07 US disclosed
US-7718676-B2 E.g., Methyl 4-{[4-Methyl-3-(4-pyridin-3-yl-oxazol-2-ylamino)-phenylamino]-methyl}-benzoate; stem cell factor, bcr-abl, fibroblastic growth factor receptor-3 and Flt-3 inhibitors; treating rheumatoid arthritis, conjunctivitis, rheumatoid spondylitis, osteoarthritis, gouty arthritis, transplant rejection AB SCIENCE (FR) 2010-05-18 US disclosed
US-20100113471-A1 2-Aminoaryloxazole compounds as tyrosine kinase inhibitors AB SCIENCE 2010-05-06 US disclosed
EP-1684750-B1 2-AMINOARYLOXAZOLE COMPOUNDS AS TYROSINE KINASE INHIBITORS AB SCIENCE (FR) 2010-04-28 EP disclosed
US-20070142390-A1 2-Aminoaryloxazole compounds as tyrosine kinase inhibitors AB SCIENCE 2007-06-21 US disclosed
EP-1684750-A2 2-AMINOARYLOXAZOLE COMPOUNDS AS TYROSINE KINASE INHIBITORS AB Science (FR) 2006-08-02 EP disclosed
WO-2005040139-A2 2-AMINOARYLOXAZOLE COMPOUNDS AS TYROSINE KINASE INHIBITORS AB SCIENCE (FR) 2005-05-06 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 (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-20070142390-A1 2-Aminoaryloxazole compounds as tyrosine kinase inhibitors FGFR3, ABL1, FLT3 ROCK1 989/4885CA9 3932/4885JAK3 28/4885
US-20100113471-A1 2-Aminoaryloxazole compounds as tyrosine kinase inhibitors FGFR3, FLT3, ABL1 ROCK1 1031/4885CA9 4180/4885JAK3 32/4885

“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.