SCHEMBL16709103

SCHEMBL16709103

Cc1ccc(S(=O)(=O)OCC2(CO)CN(C(=O)OC(C)(C)C)Cc3c(C(N)=O)c(I)cn32)cc1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
JAK2 O60674 5/20 0.33
JAK1 P23458 5/20 0.33
MMP13 P45452 1/20 0.33
P2RX7 Q99572 2/20 0.32
STS P08842 1/20 0.32
GPR119 Q8TDV5 9/20 0.32
TGM2 P21980 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
SCHEMBL16709104 0.85 NR1H2 (0.35) JAK2JAK1GPR119
SCHEMBL16709109 0.85 MEN1 (0.35) MEN1KMT2AJAK2JAK1MMP13
SCHEMBL16730741 0.75 CSNK1E (0.39)
SCHEMBL16700544 0.74 KMT2A (0.31) KMT2A
SCHEMBL29045144 0.72 KMT2A (0.45) MEN1KMT2AMMP13P2RX7STS
SCHEMBL16709102 0.72 NR1H2 (0.34) JAK2JAK1GPR119
SCHEMBL16709112 0.72 CSNK1E (0.40)
SCHEMBL26855934 0.71 KMT2A (0.47) MEN1KMT2AMMP13P2RX7STS
SCHEMBL25284834 0.70 KMT2A (0.47) MEN1KMT2AMMP13P2RX7STS
SCHEMBL18991406 0.69 KMT2A (0.46) MEN1KMT2AMMP13P2RX7STS

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-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-14 US disclosed
US-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2015-05-14 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-20150133428-A1 NOVEL SUBSTITUTED PYRAZOLO-PIPERAZINES AS CASEIN KINASE 1 D/E INHIBITORS CSNK1E, CSNK1A1, CSNK1G1 MEN1 4028/4885KMT2A 1919/4885JAK2 422/4885

“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.