SCHEMBL543776

SCHEMBL543776

NC(=S)Nc1cccc(Nc2ncco2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 2/20 0.46
ALDH1A1 P00352 2/20 0.42
TP53 P04637 1/20 0.42
TYR P14679 1/20 0.42
TSHR P16473 1/20 0.42
TAS2R38 P59533 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
PHGDH O43175 1/20 0.36
CYP3A4 P08684 1/20 0.36
AURKB Q96GD4 1/20 0.35
KDR P35968 1/20 0.35

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 0.86 KIF11 (0.45) ALDH1A1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL543837 0.81 HDAC3 (0.42) ALDH1A1TP53HSD17B10SMN1; SMN2CSNK2A2
SCHEMBL544111 0.77 MEN1 (0.50) KMT2AALDH1A1KDM4ENPSR1KDR
SCHEMBL5462458 0.76
SCHEMBL4047674 0.76 KMT2A (0.76) KMT2ACYP1A2ALDH1A1TP53TYR
SCHEMBL4532117 0.74 EGFR (0.50) AURKBKDR
SCHEMBL544461 0.74 AURKA (0.54) CSNK2A2CSNK2BCSNK2A1CSNK2A3KDR
SCHEMBL544110 0.72 NPC1 (0.44) CSNK2A2CSNK2BCSNK2A1CSNK2A3PSMD14
SCHEMBL729232 0.72 FLT1 (0.46) KMT2AALDH1A1TSHRHSD17B10KDM4E
SCHEMBL4934839 0.72 FADS1 (0.31) CSNK2A2CSNK2BCSNK2A1CSNK2A3ROCK1

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 KMT2A 168/4885CYP1A2 579/4885ALDH1A1 412/4885
US-20100113471-A1 2-Aminoaryloxazole compounds as tyrosine kinase inhibitors FGFR3, FLT3, ABL1 KMT2A 120/4885CYP1A2 912/4885ALDH1A1 733/4885

“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.