SCHEMBL544627

SCHEMBL544627

COc1ccc(CC(=O)Nc2ccc(C)c(Nc3ncc(-c4ccncc4)o3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.47
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HPGD P15428 2/20 0.47
CACNA1B Q00975 2/20 0.47
APBA1 Q02410 2/20 0.47
HSD17B10 Q99714 2/20 0.47
MAPT P10636 5/20 0.47
NOD2 Q9HC29 1/20 0.46
ALDH1A1 P00352 4/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
ROCK1 Q13464 1/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
WNT3A P56704 1/20 0.44
KDR P35968 2/20 0.44
MAPK10 P53779 1/20 0.44

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
SCHEMBL5712004 0.91 SMN1; SMN2 (0.51) KDM4ESMN1; SMN2MEN1KMT2AHPGD
SCHEMBL543758 0.85 PSEN1 (0.51) ROCK2HPGDHSD17B10ALDH1A1ROCK1
SCHEMBL544000 0.84 ALOX5 (0.48) ROCK2SMN1; SMN2WNT3AKDRFLT1
SCHEMBL543600 0.83 KDR (0.55) ROCK2KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL13380736 0.83 KIT (0.43) MEN1KMT2AMAPTALDH1A1TP53
SCHEMBL544093 0.83 MEN1 (0.50) KDM4ESMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5712006 0.83 ROCK2 (0.48) ROCK2MEN1KMT2AHPGDHSD17B10
SCHEMBL543730 0.82 KDR (0.48) ROCK2ALDH1A1KDRFLT1FLT4
SCHEMBL543692 0.81 ROCK2 (0.46) ROCK2KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL543650 0.81 ALDH1A1 (0.42) ALDH1A1CYP2C19KDRFLT1FLT4

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 ROCK2 317/4885KDM4E 432/4885SMN1; SMN2 4076/4885
US-20070142390-A1 2-Aminoaryloxazole compounds as tyrosine kinase inhibitors FGFR3, ABL1, FLT3 ROCK2 739/4885KDM4E 529/4885SMN1; SMN2 4287/4885
US-20080004279-A1 Use of C-Kit Inhibitors for Treating Plasmodium Related Diseases KIT, JAK3, MAP3K3 ROCK2 90/4885KDM4E 858/4885SMN1; SMN2 4126/4885
US-20070249628-A1 Use of Mast Cells Inhibitors for Treating Patients Exposed to Chemical or Biological Weapons KIT, CPA3, CMA1 ROCK2 1039/4885KDM4E 1106/4885SMN1; SMN2 4701/4885
US-20100113471-A1 2-Aminoaryloxazole compounds as tyrosine kinase inhibitors FGFR3, FLT3, ABL1 ROCK2 544/4885KDM4E 493/4885SMN1; SMN2 4137/4885

“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.