SCHEMBL2543744

SCHEMBL2543744

CN1CCC(CCC(=O)Nc2nc3ccc(Sc4cnc5ncccn45)cc3s2)C(F)(F)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.38
SMN1; SMN2 Q16637 6/20 0.38
LMNA P02545 4/20 0.38
STAT1 P42224 1/20 0.38
NPC1 O15118 5/20 0.37
PIK3CA P42336 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 2/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MET P08581 2/20 0.35
MAPT P10636 3/20 0.35
ACHE P22303 1/20 0.35
P2RX7 Q99572 1/20 0.35
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL2541762 0.93 MET (0.38) RAB9ASMN1; SMN2LMNASTAT1NPC1
SCHEMBL2537499 0.89 RAB9A (0.33) RAB9ASMN1; SMN2LMNASTAT1NPC1
SCHEMBL2543258 0.88 RAB9A (0.42) RAB9ASMN1; SMN2LMNASTAT1NPC1
SCHEMBL2543190 0.85 RAB9A (0.39) RAB9ASMN1; SMN2LMNASTAT1NPC1
SCHEMBL2546596 0.83 ALDH1A1 (0.45) RAB9ASMN1; SMN2LMNASTAT1NPC1
SCHEMBL2541005 0.83 ACHE (0.46) RAB9ASMN1; SMN2LMNASTAT1NPC1
SCHEMBL2546605 0.82 TRPV1 (0.32) RAB9ASMN1; SMN2LMNASTAT1NPC1
SCHEMBL2545248 0.81 MET (0.40) RAB9ASMN1; SMN2LMNASTAT1NPC1
SCHEMBL2541008 0.81 PIK3CA (0.49) RAB9ASMN1; SMN2LMNASTAT1NPC1
SCHEMBL2544044 0.81 MET (0.48) RAB9ASMN1; SMN2LMNASTAT1PIK3CA

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 RAB9A 2193/4885SMN1; SMN2 2888/4885LMNA 4476/4885

“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.