SCHEMBL2082137

SCHEMBL2082137

CCOC(=O)c1cn([C@@H]2C[C@H]2F)c2c(OC)c(F)cc(N)c2c1=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.41
HTT P42858 2/20 0.41
CYP3A4 P08684 1/20 0.38
ADRB2 P07550 1/20 0.38
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.36
CASP1 P29466 1/20 0.35
GSK3B P49841 3/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
CYP1A2 P05177 1/20 0.34
PRKCZ Q05513 1/20 0.34

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
SCHEMBL2082138 1.00 STAT3 (0.41) STAT3HTTCYP3A4ADRB2TSHR
SCHEMBL2078701 0.89 STAT3 (0.43) STAT3HTTCYP3A4ADRB2TSHR
SCHEMBL2078703 0.89 STAT3 (0.43) STAT3HTTCYP3A4ADRB2TSHR
SCHEMBL2083988 0.87 CYP3A4 (0.47) CYP3A4KMT2AGSK3BKDM4EALDH1A1
SCHEMBL2083990 0.87 CYP3A4 (0.47) CYP3A4KMT2AGSK3BKDM4EALDH1A1
SCHEMBL2083805 0.85 POLB (0.40) STAT3HTTCYP3A4ADRB2TSHR
SCHEMBL2083807 0.85 POLB (0.40) STAT3HTTCYP3A4ADRB2TSHR
SCHEMBL4675220 0.82 STAT3 (0.40) STAT3HTTCYP3A4TSHRSMN1; SMN2
SCHEMBL2080449 0.81 CYP3A4 (0.49) STAT3HTTCYP3A4ADRB2KMT2A
SCHEMBL2080448 0.81 CYP3A4 (0.49) STAT3HTTCYP3A4ADRB2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902226-B2 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
EP-1336611-B1 DEHALOGENO COMPOUNDS DAIICHI SEIYAKU CO (JP) 2007-09-05 EP disclosed
US-20070123560-A1 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. 2007-05-31 US disclosed
US-20040063754-A1 Dehalogeno compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-1336611-A1 DEHALOGENO COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-08-20 EP 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-20040063754-A1 Dehalogeno compounds DEK, PGLS, RPS27L STAT3 3955/4885HTT 1371/4885CYP3A4 198/4885
US-20070123560-A1 Dehalogeno-compounds DEK, RPS27L, POLL STAT3 4101/4885HTT 1526/4885CYP3A4 277/4885

“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.