SCHEMBL2123473

SCHEMBL2123473

Cn1ccnc1CN(Cc1ccc(C=O)cc1)Cc1nccn1C

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.58
MEN1 O00255 3/20 0.58
CXCR4 P61073 2/20 0.47
ALDH1A1 P00352 6/20 0.40
TSHR P16473 1/20 0.40
FDPS P14324 1/20 0.35
CYP11B1 P15538 1/20 0.35
KCNA5 P22460 1/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 2/20 0.33
NPC1 O15118 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH3A1 P30838 1/20 0.33
ALDH1A3 P47895 1/20 0.33

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
SCHEMBL1637367 0.88 CXCR4 (0.64) KMT2AMEN1CXCR4ALDH1A1TSHR
SCHEMBL2124123 0.87 MEN1 (0.46) KMT2AMEN1CXCR4ALDH1A1TSHR
SCHEMBL1638046 0.85 KMT2A (0.45) KMT2AMEN1CXCR4ALDH1A1TSHR
SCHEMBL5795105 0.81 KMT2A (0.42) KMT2AMEN1CXCR4ALDH1A1TSHR
SCHEMBL369262 0.79 TSHR (0.45) KMT2AMEN1CXCR4ALDH1A1TSHR
SCHEMBL2124334 0.79 MEN1 (0.40) KMT2AMEN1CXCR4ALDH1A1TSHR
SCHEMBL1206400 0.79 CXCR4 (0.48) KMT2AMEN1CXCR4ALDH1A1TSHR
SCHEMBL1637273 0.73 CXCR4 (0.72) KMT2AMEN1CXCR4TSHRLMNA
SCHEMBL1637097 0.73 CXCR4 (0.72) KMT2AMEN1CXCR4TSHRLMNA
SCHEMBL1637100 0.73 CXCR4 (0.72) KMT2AMEN1CXCR4TSHRLMNA

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 KMT2A 4122/4885MEN1 2741/4885CXCR4 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.