SCHEMBL544461

SCHEMBL544461

NC(=O)Cc1cccc(Nc2ncco2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.54
CHEK1 O14757 1/20 0.44
MAP3K7 O43318 1/20 0.44
NUAK1 O60285 1/20 0.44
JAK2 O60674 1/20 0.44
BMX P51813 1/20 0.44
NEK2 P51955 1/20 0.44
MAP3K9 P80192 1/20 0.44
MAP2K1 Q02750 1/20 0.44
MAP3K11 Q16584 1/20 0.44
TBK1 Q9UHD2 1/20 0.44
CSNK2A1 P68400 2/20 0.42
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
IRAK4 Q9NWZ3 1/20 0.38
F2RL1 P55085 1/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL544521 0.80 KIF11 (0.45) CSNK2A1CSNK2A2CSNK2BCSNK2A3KDR
SCHEMBL544110 0.75 NPC1 (0.44) AURKACSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL543837 0.75 HDAC3 (0.42) CSNK2A1CSNK2A2CSNK2BCSNK2A3KDR
SCHEMBL543777 0.74 CSNK2A2 (0.38) AURKACSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL544111 0.74 MEN1 (0.50) KDRSYKROCK1
SCHEMBL543776 0.74 KMT2A (0.47) CSNK2A1CSNK2A2CSNK2BCSNK2A3KDR
SCHEMBL3184520 0.72 CSNK2A1 (0.49) AURKACHEK1MAP3K7NUAK1JAK2
SCHEMBL543690 0.71 ROCK1 (0.58) JAK2SYKROCK1
SCHEMBL27962719 0.71 AURKA (0.69) AURKASYKMAPK8
SCHEMBL4532117 0.71 EGFR (0.50) AURKAKDR

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 AURKA 93/4885CHEK1 733/4885MAP3K7 116/4885
US-20100113471-A1 2-Aminoaryloxazole compounds as tyrosine kinase inhibitors FGFR3, FLT3, ABL1 AURKA 73/4885CHEK1 704/4885MAP3K7 134/4885

“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.