SCHEMBL2242944

SCHEMBL2242944

Cc1cc2c(cc1C(=O)N(C(C)C)[C@@H]1CCCN(C(=O)O)C1)N(CCCCC#N)C(=O)C(C)(C)O2

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
TSHR P16473 4/20 0.35
HPGD P15428 3/20 0.35
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 6/20 0.34
RECQL P46063 1/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
GAA P10253 1/20 0.34
TP53 P04637 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 2/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL2241681 0.92 TSHR (0.36) KMT2ATSHRHPGDMAPTNPSR1
SCHEMBL2241270 0.91 TSHR (0.36) KMT2ATSHRHPGDMAPTNPSR1
SCHEMBL2241740 0.91 TSHR (0.36) KMT2ATSHRHPGDMAPTNPSR1
SCHEMBL2249042 0.90 KMT2A (0.38) KMT2ATSHRHPGDMAPTNPSR1
SCHEMBL2239301 0.90 TSHR (0.38) KMT2ATSHRHPGDMAPTNPSR1
SCHEMBL12352967 0.89 KMT2A (0.43) KMT2ATSHRHPGDMAPTNPSR1
SCHEMBL2242704 0.89 TSHR (0.35) KMT2ATSHRHPGDMAPTNPSR1
SCHEMBL2247111 0.89 KMT2A (0.36) KMT2ATSHRHPGDMAPTNPSR1
SCHEMBL2241891 0.89 REN (0.39) KMT2ATSHRHPGDMAPTNPSR1
SCHEMBL2245258 0.89 TSHR (0.37) KMT2ATSHRHPGDMAPTNPSR1

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-8389511-B2 Bicyclic heterocyclic derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2013-03-05 US disclosed
US-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 US disclosed
EP-2243779-A1 BICYCLIC HETEROCYCLIC DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2010-10-27 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 KMT2A 1812/4885TSHR 772/4885HPGD 542/4885

“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.