Sugi Predict

Sugi Predict / Compounds / SCHEMBL543837

SCHEMBL543837

SCHEMBL543837

O=C(O)Nc1cccc(Nc2ncco2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.42
▸ HDAC4 P56524 2/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC7 Q8WUI4 2/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ HDAC10 Q969S8 2/20 0.42
▸ HDAC11 Q96DB2 2/20 0.42
▸ HDAC8 Q9BY41 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ HDAC9 Q9UKV0 2/20 0.42
▸ HDAC5 Q9UQL6 2/20 0.42
▸ GPR35 Q9HC97 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ KCNK3 O14649 4/20 0.40
▸ KCNK9 Q9NPC2 3/20 0.40
▸ KDR P35968 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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 0.87 KIF11 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL543776 0.81 KMT2A (0.47) AURKBKDRMAPTHSD17B10PSMD14
SCHEMBL544110 0.79 NPC1 (0.44) HDAC7HDAC11HDAC8HDAC6PSMD14
SCHEMBL729232 0.77 FLT1 (0.46) KDRMAPTMAPK1HSD17B10CSNK2A1
SCHEMBL4532117 0.75 EGFR (0.50) AURKBKDR
SCHEMBL544111 0.75 MEN1 (0.50) KDRLMNAMAPTALDH1A1
SCHEMBL544461 0.75 AURKA (0.54) KDRCSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL3070030 0.75 — —
SCHEMBL11858223 0.75 GPR35 (0.67) GPR35KCNK3KCNK9MAPTHSD17B10
SCHEMBL543777 0.73 CSNK2A2 (0.38) LMNAMAPTPSMD14STAMBPCOPS5

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 HDAC3 3121/4885HDAC4 3416/4885HDAC1 2925/4885
US-20100113471-A1 2-Aminoaryloxazole compounds as tyrosine kinase inhibitors FGFR3, FLT3, ABL1 HDAC3 2405/4885HDAC4 2752/4885HDAC1 2651/4885

“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.