SCHEMBL2547868

SCHEMBL2547868

O=C(CCN1CCN(CC(F)(F)F)CC1)Nc1nc2cc(F)c(Sc3cnc4ncccn34)cc2s1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 12/20 0.40
P2RX7 Q99572 5/20 0.40
BCHE P06276 8/20 0.39
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
GRIN2B Q13224 5/20 0.37
PIK3CA P42336 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
LMNA P02545 1/20 0.35
STAT1 P42224 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2543731 0.93 USP2 (0.39) PIK3CALMNASMN1; SMN2
SCHEMBL2548141 0.92 ACHE (0.43) ACHEP2RX7BCHEDRD2DRD3
SCHEMBL2541760 0.88 ACHE (0.42) ACHEP2RX7BCHEDRD2DRD3
SCHEMBL2541718 0.86 ACHE (0.37) ACHEP2RX7BCHEDRD2DRD3
SCHEMBL2540214 0.86 USP2 (0.40) PIK3CALMNASMN1; SMN2
SCHEMBL2541335 0.85 RAB9A (0.38) ACHEP2RX7BCHEGRIN2BLMNA
SCHEMBL2541766 0.85 LMNA (0.36) ACHEP2RX7BCHEGRIN2BCYP3A4
SCHEMBL2544861 0.84 ACHE (0.36) ACHEP2RX7BCHEDRD2DRD3
SCHEMBL2546284 0.83 ALDH1A1 (0.42) LMNASMN1; SMN2
SCHEMBL2543264 0.83 USP2 (0.40) ACHEGRIN2BLMNASMN1; SMN2

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 ACHE 2277/4885P2RX7 116/4885BCHE 3088/4885

“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.