SCHEMBL2124123

SCHEMBL2124123

CN(C)S(=O)(=O)n1ccnc1CN(Cc1ccc(C=O)cc1)Cc1nccn1C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CXCR4 P61073 2/20 0.41
TSHR P16473 1/20 0.37
FGFR1 P11362 9/20 0.34
FGFR2 P21802 9/20 0.34
FGFR4 P22455 9/20 0.34
FGFR3 P22607 9/20 0.34
KDR P35968 8/20 0.34
KCNA5 P22460 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP11B1 P15538 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
SCHEMBL2124334 0.94 MEN1 (0.40) MEN1KMT2ACXCR4TSHRFGFR1
SCHEMBL2123473 0.87 KMT2A (0.58) MEN1KMT2ACXCR4TSHRKCNA5
SCHEMBL2129624 0.87 CXCR4 (0.42) MEN1KMT2ACXCR4TSHRFGFR1
SCHEMBL2127136 0.80 FGFR1 (0.37) CXCR4TSHRFGFR1FGFR2FGFR4
SCHEMBL2125333 0.80 FGFR1 (0.37) CXCR4TSHRFGFR1FGFR2FGFR4
SCHEMBL2693461 0.80 TSHR (0.41) MEN1KMT2ATSHRFGFR1FGFR2
SCHEMBL4070185 0.79 ALDH1A1 (0.38) MEN1KMT2AFGFR1FGFR2FGFR4
SCHEMBL2693716 0.77 KMT2A (0.39) MEN1KMT2ATSHRFGFR1FGFR2
SCHEMBL1637367 0.77 CXCR4 (0.64) MEN1KMT2ACXCR4TSHRALDH1A1
SCHEMBL2695192 0.76 MEN1 (0.38) MEN1KMT2AFGFR1FGFR2FGFR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476290-B2 Compound having spiro-bonded cyclic group and use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2013-07-02 US disclosed
US-20120101280-A1 COMPOUND HAVING SPIRO-BONDED CYCLIC GROUP AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2012-04-26 US disclosed
EP-2444402-A1 COMPOUND HAVING SPIRO-BONDED CYCLIC GROUP AND USE THEREOF ONO Pharmaceutical Co., Ltd. (JP) 2012-04-25 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 (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-20120101280-A1 COMPOUND HAVING SPIRO-BONDED CYCLIC GROUP AND USE THEREOF CXCR4, CXCL12, CCR5 MEN1 2741/4885KMT2A 4122/4885CXCR4 1/4885

“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.