SCHEMBL13772602

SCHEMBL13772602

CCCCOc1cc(C(O)c2nccnc2Cl)ccc1OCCC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.40
CALM1 P0DP23 1/20 0.36
TNF P01375 1/20 0.36
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CSNK2A1 P68400 2/20 0.35
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
FDPS P14324 2/20 0.34
ENPP1 P22413 1/20 0.34
BACE1 P56817 1/20 0.34
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
TRPV3 Q8NET8 1/20 0.33

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
SCHEMBL12335177 0.92 ACHE (0.50) ACHETNFMAPTPDE4APDE4B
SCHEMBL13772605 0.88 ESR1 (0.38) ACHEGLASMN1; SMN2BACE1
SCHEMBL12335179 0.87 KCNH2 (0.39) ACHEGLASMN1; SMN2KMT2A
SCHEMBL12336346 0.86 KMT2A (0.40) ACHEMAPTSMN1; SMN2KMT2AATM
SCHEMBL13772452 0.85 L3MBTL1 (0.40) CALM1TNFMAPTHSD17B10CSNK2A1
SCHEMBL13772435 0.79 ALOX5 (0.51) SMN1; SMN2KMT2A
SCHEMBL13772628 0.79 OPRM1 (0.45) SMN1; SMN2
SCHEMBL12335696 0.77 TNF (0.53) CALM1TNFPDE4APDE4BPDE4C
SCHEMBL12334942 0.77 L3MBTL1 (0.50) TNFMAPTPDE4APDE4BPDE4C
SCHEMBL13772524 0.75 SMPD1 (0.39) GLASMN1; SMN2BACE1

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-20090181940-A1 Imidazopyrazine Tyrosine Kinase Inhibitors OSI PHARMACEUTICALS, INC. 2009-07-16 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-20090181940-A1 Imidazopyrazine Tyrosine Kinase Inhibitors IGF1R, IRS1, IGFBP1 ACHE 4290/4885CALM1 624/4885TNF 2545/4885

“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.