SCHEMBL2544044

SCHEMBL2544044

O=C(CCN1CCOCC1)Nc1nc2ccc(Sc3cnc4ncccn34)cc2s1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.48
CYP3A4 P08684 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 2/20 0.47
CLK1 P49759 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
PIK3CA P42336 3/20 0.47
AHR P35869 1/20 0.45
ACHE P22303 1/20 0.44
P2RX7 Q99572 1/20 0.44
LMNA P02545 1/20 0.43
STAT1 P42224 1/20 0.43
RAB9A P51151 1/20 0.43
ABL1 P00519 1/20 0.42

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
SCHEMBL2541008 0.93 PIK3CA (0.49) METCYP3A4SMN1; SMN2HTTKMT2A
SCHEMBL2542595 0.92 ALDH1A1 (0.57) METCYP3A4SMN1; SMN2HTTCLK1
SCHEMBL2541005 0.91 ACHE (0.46) CYP3A4SMN1; SMN2ALDH1A1POLBPIK3CA
SCHEMBL1842687 0.89 MET (0.62) METCYP3A4ABL1
SCHEMBL2541760 0.89 ACHE (0.42) METCYP3A4SMN1; SMN2PIK3CAACHE
SCHEMBL2547349 0.86 SMN1; SMN2 (0.45) SMN1; SMN2HTTKMT2AALDH1A1MEN1
SCHEMBL2546971 0.86 LMNA (0.40) METCYP3A4SMN1; SMN2CLK1KMT2A
SCHEMBL2544077 0.86 MET (0.45) METCYP3A4SMN1; SMN2HTTCLK1
SCHEMBL2542871 0.85 SMN1; SMN2 (0.43) SMN1; SMN2HTTKMT2AALDH1A1MEN1
SCHEMBL2544871 0.85 CLK1 (0.47) SMN1; SMN2HTTCLK1KMT2AALDH1A1

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 MET 2/4885CYP3A4 173/4885SMN1; SMN2 2888/4885

“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.