SCHEMBL543874

SCHEMBL543874

Nc1cccc(N)c1-c1ncco1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 1/20 0.42
LTA4H P09960 1/20 0.41
BRD4 O60885 1/20 0.36
ADORA2A P29274 4/20 0.35
ADORA1 P30542 2/20 0.35
HDAC4 P56524 1/20 0.34
PIN1 Q13526 1/20 0.33
ELANE P08246 1/20 0.33
NR4A2 P43354 1/20 0.32
NCF1 P14598 1/20 0.32
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CFTR P13569 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
PTPRC P08575 1/20 0.31

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
SCHEMBL1290063 0.79 HPGDS (0.42) HPGDSLTA4HBRD4ELANE
SCHEMBL4904620 0.78 ALDH1A1 (0.46) HPGDSLTA4HBRD4ADORA2AADORA1
SCHEMBL17205030 0.77 NCF1 (0.44) HPGDSLTA4HBRD4ADORA2AADORA1
SCHEMBL22557217 0.76 HPGDS (0.40) HPGDSLTA4HBRD4ADORA2AADORA1
SCHEMBL2801771 0.75 HPGDS (0.42) HPGDSLTA4HBRD4ADORA2AHDAC4
SCHEMBL7256620 0.73 BRD4 (0.39) HPGDSLTA4HBRD4ADORA2AADORA1
SCHEMBL24026461 0.72 TUBB4A (0.40) HPGDSLTA4HBRD4ADORA2APIN1
SCHEMBL3647332 0.72 PARP1 (0.49) TSHRALDH1A1HPGDHSD17B10CSNK1A1
SCHEMBL100765 0.71 HPGDS (0.46) HPGDSLTA4HBRD4ADORA2AADORA1
SCHEMBL27895621 0.71 TUBB4A (0.41) HPGDSLTA4HTSHRALDH1A1HPGD

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 6 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
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 HPGDS 1472/4885LTA4H 2589/4885BRD4 1280/4885
US-20100113471-A1 2-Aminoaryloxazole compounds as tyrosine kinase inhibitors FGFR3, FLT3, ABL1 HPGDS 1619/4885LTA4H 2649/4885BRD4 734/4885

“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.