SCHEMBL3177451

SCHEMBL3177451

CC(C)(C)c1sc(N)nc1CN1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
ALOX15 P16050 1/20 0.40
FBP1 P09467 1/20 0.38
CXCR4 P61073 1/20 0.37
CNR2 P34972 1/20 0.37
CA2 P00918 2/20 0.36
ADORA2A P29274 5/20 0.36
ADORA1 P30542 3/20 0.36
PTPN1 P18031 1/20 0.35
PIK3CA P42336 1/20 0.35
MTOR P42345 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 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
SCHEMBL27705838 0.73 SMN1; SMN2 (0.43) SMN1; SMN2ALOX15FBP1CXCR4ADORA2A
SCHEMBL3185991 0.72 SIGMAR1 (0.38) SMN1; SMN2ALOX15CXCR4CNR2SIGMAR1
SCHEMBL17632140 0.71 SMN1; SMN2 (0.49) SMN1; SMN2FBP1CXCR4ADORA2AADORA1
SCHEMBL25253293 0.70 ALDH1A1 (0.37) SMN1; SMN2
SCHEMBL3197864 0.66 HTR1A (0.32) CNR2
SCHEMBL23809035 0.66 ALOX15 (0.43) SMN1; SMN2ALOX15CXCR4CNR2PTPN1
SCHEMBL10518389 0.66 SMN1; SMN2 (0.61) SMN1; SMN2CXCR4CA2ADORA2AADORA1
SCHEMBL6284409 0.65 SMN1; SMN2 (0.49) SMN1; SMN2ALOX15FBP1CXCR4ADORA2A
SCHEMBL331556 0.65 FBP1 (0.42) SMN1; SMN2ALOX15FBP1PIK3CAMTOR
Trifluoroacetic Acid SCHEMBL29992669 0.64 FBP1 (0.45) SMN1; SMN2FBP1PIK3CAMTORGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904494-B1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS LILLY CO ELI (US) 2010-12-01 EP disclosed
US-7666879-B2 Imidazo[1,2-A]pyridine compounds as VEGF-R2 inhibitors ELI LILLY AND COMPANY (US) 2010-02-23 US disclosed
US-20090227622-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS ELI LILLY AND COMPANY 2009-09-10 US disclosed
EP-1904494-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS ELI LILLY AND COMPANY (US) 2008-04-02 EP disclosed
WO-2006091671-A1 IMIDAZO (1, 2-A) PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS ELI LILLY AND COMPANY (US) 2006-08-31 WO 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-20090227622-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS KDR, FLT1, FLT4 SMN1; SMN2 4560/4885ALOX15 4562/4885FBP1 2134/4885

“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.