SCHEMBL2544871

SCHEMBL2544871

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
USP2 O75604 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
PIK3CA P42336 1/20 0.44
HTT P42858 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL1836576 0.93 ALDH1A1 (0.55) CLK1SMN1; SMN2USP2LMNATSHR
SCHEMBL2543867 0.91 CLK1 (0.58) CLK1SMN1; SMN2USP2LMNATSHR
SCHEMBL2540752 0.91 ALDH1A1 (0.49) CLK1SMN1; SMN2USP2LMNATSHR
SCHEMBL2545660 0.90 ALDH1A1 (0.52) CLK1SMN1; SMN2USP2LMNATSHR
SCHEMBL2543183 0.90 CLK1 (0.48) CLK1SMN1; SMN2USP2LMNATSHR
SCHEMBL2542595 0.90 ALDH1A1 (0.57) CLK1SMN1; SMN2USP2LMNATSHR
SCHEMBL2544940 0.89 CLK1 (0.45) CLK1SMN1; SMN2USP2LMNATSHR
SCHEMBL2543728 0.89 CLK1 (0.47) CLK1SMN1; SMN2USP2LMNATSHR
SCHEMBL2547147 0.89 CLK1 (0.56) CLK1SMN1; SMN2USP2LMNATSHR
SCHEMBL2541325 0.89 CLK1 (0.47) CLK1SMN1; SMN2USP2LMNATSHR

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 CLK1 1235/4885SMN1; SMN2 2888/4885USP2 3666/4885

“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.