SCHEMBL5520679

SCHEMBL5520679

COc1cc(NC(=O)c2scnc2NC(=O)OC(C)(C)C)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMPRSS4 Q9NRS4 2/20 0.46
KMT2A Q03164 1/20 0.46
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
P2RX1 P51575 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41
EPHX2 P34913 1/20 0.41
TRPA1 O75762 1/20 0.41
MAPT P10636 11/20 0.41
KDM4E B2RXH2 7/20 0.41
POLB P06746 2/20 0.41
HTT P42858 1/20 0.41
MDM2 Q00987 1/20 0.41
HKDC1 Q2TB90 1/20 0.41
SAE1 Q9UBE0 1/20 0.41
UBA2 Q9UBT2 1/20 0.41
ATF1 P18846 1/20 0.41
NFKB1 P19838 1/20 0.41

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
SCHEMBL773675 0.79 LCK (0.59) TMPRSS4KMT2AHDAC3HDAC1HDAC2
SCHEMBL12912412 0.77 NAMPT (0.46) KMT2ARXFP1MAPTNPC1
SCHEMBL25180969 0.73 ATR (0.45) KMT2AMAPTKDM4ENPC1
SCHEMBL25112289 0.73 HDAC3 (0.46) TMPRSS4KMT2AHDAC3HDAC1HDAC2
SCHEMBL13950727 0.73 KIT (0.56) KMT2A
SCHEMBL4304797 0.72 KDM4E (0.45) KMT2AMAPTKDM4ENPC1
SCHEMBL8574413 0.72 MAPT (0.57) TMPRSS4P2RX1RXFP1TRPA1MAPT
SCHEMBL4723839 0.70 KMT2A (0.54) KMT2AMAPTPOLBHTTNPC1
SCHEMBL4763294 0.69 TMPRSS4 (0.57) TMPRSS4KMT2AHDAC3HDAC1HDAC2
SCHEMBL5142357 0.68 POLB (0.57) TMPRSS4KMT2AHDAC3HDAC1HDAC2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189854-B2 Cyclic protein tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-13 US disclosed
US-20050261305-A1 Reacting 4-(2-hydroxyethyl)piperazine and 2-((2-methyl,6-chloro-pyrimidin-4-yl)-amino),5-(2-chloro,6-methyl-phenyl)thiazole to obtain 2-((2-hydroxyethyl)piperazin-4-yl)-(2-methylpyrimidin-6,4-ylene)amino-),5-(2-chloro,6-methyl-phenyl)thiazole; antiarthritic,-tumor, -carcinogentic agents; immunology DAS JAGABANDHU 2005-11-24 US 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 (1 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-20050261305-A1 Reacting 4-(2-hydroxyethyl)piperazine and 2-((2-methyl,6-chloro-pyrimidin-4-yl)-amino),5-(2-chloro,6-methyl-phenyl)thiazole to obtain 2-((2-hydroxyethyl)piperazin-4-yl)-(2-methylpyrimidin-6,4-ylene)amino-),5-(2-chloro,6-methyl-phenyl)thiazole; antiarthritic,-tumor, -carcinogentic agents; immunology JAK2, JAK1, TYK2 TMPRSS4 3440/4885KMT2A 184/4885HDAC3 1949/4885

“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.