SCHEMBL2541005

SCHEMBL2541005

CN1CCN(CCC(=O)Nc2nc3ccc(Sc4cnc5ncccn45)cc3s2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 8/20 0.46
P2RX7 Q99572 4/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
STAT1 P42224 1/20 0.45
RAB9A P51151 1/20 0.45
NPC1 O15118 1/20 0.43
GRIN2B Q13224 4/20 0.42
BCHE P06276 4/20 0.42
PIK3CA P42336 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41

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 0.94 PIK3CA (0.49) ACHEP2RX7ALDH1A1LMNASMN1; SMN2
SCHEMBL1836576 0.93 ALDH1A1 (0.55) ALDH1A1POLBLMNASMN1; SMN2PIK3CA
SCHEMBL2544044 0.91 MET (0.48) ACHEP2RX7ALDH1A1POLBLMNA
SCHEMBL2541760 0.91 ACHE (0.42) ACHEP2RX7LMNASMN1; SMN2STAT1
SCHEMBL2545660 0.90 ALDH1A1 (0.52) ALDH1A1POLBLMNASMN1; SMN2PIK3CA
SCHEMBL2543258 0.88 RAB9A (0.42) ACHEALDH1A1POLBLMNASMN1; SMN2
SCHEMBL2547349 0.88 SMN1; SMN2 (0.45) ACHEP2RX7ALDH1A1POLBLMNA
SCHEMBL2546971 0.88 LMNA (0.40) ACHEP2RX7ALDH1A1POLBLMNA
SCHEMBL2542871 0.88 SMN1; SMN2 (0.43) ACHEP2RX7ALDH1A1POLBLMNA
SCHEMBL2544871 0.87 CLK1 (0.47) ALDH1A1POLBLMNASMN1; SMN2PIK3CA

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 116/4885ALDH1A1 250/4885

“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.