SCHEMBL544076

SCHEMBL544076

COc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1Nc1ncc(-c2cccnc2)o1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.62
BCR P11274 3/20 0.62
POLB P06746 1/20 0.55
BRAF P15056 5/20 0.55
CSF1R P07333 2/20 0.55
PIKFYVE Q9Y2I7 3/20 0.55
PRKCA P17252 1/20 0.54
KDR P35968 5/20 0.53
FLT1 P17948 2/20 0.53
FLT4 P35916 2/20 0.53
RAF1 P04049 1/20 0.53
MEN1 O00255 1/20 0.49
TSHR P16473 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL544249 0.89 BRAF (0.56) ABL1BCRBRAFCSF1RPIKFYVE
SCHEMBL543756 0.88 CSF1R (0.59) ABL1BCRBRAFCSF1RPIKFYVE
SCHEMBL5158993 0.88 BRAF (0.50) ABL1BCRBRAFCSF1RPIKFYVE
SCHEMBL543608 0.86 TSHR (0.60) ABL1BCRBRAFCSF1RPIKFYVE
SCHEMBL544729 0.81 BRAF (0.60) ABL1POLBBRAFCSF1RPIKFYVE
SCHEMBL5199194 0.78 ESR1 (0.52) ABL1BCRBRAFCSF1RPIKFYVE
SCHEMBL543745 0.77 POLB (0.55) ABL1BCRPOLBBRAFCSF1R
SCHEMBL543733 0.76 BRAF (0.66) POLBBRAFCSF1RPIKFYVEKDR
SCHEMBL7152016 0.76 ABL1 (0.71) ABL1BCRBRAFCSF1RPIKFYVE
SCHEMBL544438 0.76 BRAF (0.53) ABL1BCRBRAFCSF1RPIKFYVE

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-1684750-B1 2-AMINOARYLOXAZOLE COMPOUNDS AS TYROSINE KINASE INHIBITORS AB SCIENCE (FR) 2010-04-28 EP claimed
US-20070142390-A1 2-Aminoaryloxazole compounds as tyrosine kinase inhibitors AB SCIENCE 2007-06-21 US claimed
EP-1684750-A2 2-AMINOARYLOXAZOLE COMPOUNDS AS TYROSINE KINASE INHIBITORS AB Science (FR) 2006-08-02 EP claimed
WO-2005040139-A2 2-AMINOARYLOXAZOLE COMPOUNDS AS TYROSINE KINASE INHIBITORS AB SCIENCE (FR) 2005-05-06 WO claimed
US-8110591-B2 2-aminoaryloxazole compounds as tyrosine kinase inhibitors AB SCIENCE (FR) 2012-02-07 US disclosed
US-8110591-B2 2-aminoaryloxazole compounds as tyrosine kinase inhibitors AB SCIENCE (FR) 2012-02-07 US disclosed
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-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-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
US-20080004279-A1 Use of C-Kit Inhibitors for Treating Plasmodium Related Diseases AB SCIENCE (FR) 2008-01-03 US disclosed
US-20070249628-A1 Use of Mast Cells Inhibitors for Treating Patients Exposed to Chemical or Biological Weapons MOUSSY ALAIN 2007-10-25 US disclosed
US-20070225293-A1 Use of C-Kit Inhibitors for Treating Fibrosis AB SCIENCE 2007-09-27 US disclosed
US-20070142390-A1 2-Aminoaryloxazole compounds as tyrosine kinase inhibitors AB SCIENCE 2007-06-21 US disclosed
US-20070142390-A1 2-Aminoaryloxazole compounds as tyrosine kinase inhibitors AB SCIENCE 2007-06-21 US 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 (5 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-20070225293-A1 Use of C-Kit Inhibitors for Treating Fibrosis KIT, CPA3, CMA1 ABL1 419/4885BCR 2636/4885POLB 4691/4885
US-20070142390-A1 2-Aminoaryloxazole compounds as tyrosine kinase inhibitors FGFR3, ABL1, FLT3 ABL1 2/4885BCR 8/4885POLB 4074/4885
US-20080004279-A1 Use of C-Kit Inhibitors for Treating Plasmodium Related Diseases KIT, JAK3, MAP3K3 ABL1 5/4885BCR 349/4885POLB 4042/4885
US-20070249628-A1 Use of Mast Cells Inhibitors for Treating Patients Exposed to Chemical or Biological Weapons KIT, CPA3, CMA1 ABL1 176/4885BCR 1450/4885POLB 4177/4885
US-20100113471-A1 2-Aminoaryloxazole compounds as tyrosine kinase inhibitors FGFR3, FLT3, ABL1 ABL1 3/4885BCR 8/4885POLB 4525/4885

“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.