SCHEMBL2545790

SCHEMBL2545790

O=C(CN1CCN(C2CCCCC2)CC1)Nc1nc2ccc(Sc3cnc4ncccn34)cc2s1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.45
BCHE P06276 1/20 0.44
ACHE P22303 1/20 0.44
GRIN2B Q13224 1/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
CLK1 P49759 3/20 0.44
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 5/20 0.41
POLB P06746 2/20 0.41
HTT P42858 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL2546154 0.96 CLK1 (0.45) PIK3CATSHRSMN1; SMN2USP2LMNA
SCHEMBL2540992 0.93 ALDH1A1 (0.48) PIK3CATSHRSMN1; SMN2USP2LMNA
SCHEMBL2546951 0.88 BCHE (0.41) PIK3CABCHEACHEGRIN2BTSHR
SCHEMBL2543867 0.88 CLK1 (0.58) PIK3CATSHRSMN1; SMN2USP2LMNA
SCHEMBL1836576 0.88 ALDH1A1 (0.55) PIK3CATSHRSMN1; SMN2USP2LMNA
SCHEMBL2547147 0.87 CLK1 (0.56) PIK3CATSHRSMN1; SMN2USP2LMNA
SCHEMBL2544871 0.87 CLK1 (0.47) PIK3CATSHRSMN1; SMN2USP2LMNA
SCHEMBL2545660 0.87 ALDH1A1 (0.52) PIK3CATSHRSMN1; SMN2USP2LMNA
SCHEMBL2543183 0.86 CLK1 (0.48) PIK3CATSHRSMN1; SMN2USP2LMNA
SCHEMBL2542595 0.86 ALDH1A1 (0.57) PIK3CATSHRSMN1; SMN2USP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110263593-A1 NOVEL IMIDAZO[1,2-a]PYRIMIDINE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE, IN PARTICULAR AS MET INHIBITORS SANOFI-AVENTIS (FR) 2011-10-27 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-20110263593-A1 NOVEL IMIDAZO[1,2-a]PYRIMIDINE DERIVATIVES, METHOD FOR THE PREPARATION THEREOF, USE THEREOF AS MEDICAMENTS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE, IN PARTICULAR AS MET INHIBITORS TPMT, MET, PAICS PIK3CA 47/4885BCHE 3088/4885ACHE 2277/4885

“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.