SCHEMBL13801705

SCHEMBL13801705

CNCCOc1cc(/C=N/Nc2c[nH]c3ccccc23)cc(N2CCOCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIKFYVE Q9Y2I7 2/20 0.42
FES P07332 1/20 0.42
FER P16591 1/20 0.42
TYK2 P29597 1/20 0.42
FRK P42685 1/20 0.42
SYK P43405 1/20 0.42
CAMK1D Q8IU85 1/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
MAPT P10636 10/20 0.41
ALDH1A1 P00352 5/20 0.41
GAA P10253 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 8/20 0.41
LMNA P02545 6/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL302409 0.86 PIKFYVE (0.44) PIKFYVEFESFERTYK2FRK
SCHEMBL10196469 0.86 PIKFYVE (0.44) PIKFYVEFESFERTYK2FRK
SCHEMBL10196455 0.85 MAPT (0.41) PIKFYVEFESFERTYK2FRK
SCHEMBL302373 0.85 MAPT (0.41) PIKFYVEFESFERTYK2FRK
SCHEMBL10196470 0.85 MAPT (0.47) PIKFYVEMAPTALDH1A1GAAL3MBTL1
SCHEMBL304146 0.85 MAPT (0.47) PIKFYVEMAPTALDH1A1GAAL3MBTL1
SCHEMBL10196446 0.82 MAPT (0.48) PIKFYVEFESFERTYK2FRK
SCHEMBL302996 0.82 MAPT (0.48) PIKFYVEFESFERTYK2FRK
SCHEMBL302567 0.80 MAPT (0.41) PIKFYVEFESFERTYK2FRK
SCHEMBL302568 0.80 MAPT (0.41) PIKFYVEFESFERTYK2FRK

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-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2009-06-25 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-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 PIKFYVE 2941/4885FES 1524/4885FER 2106/4885

“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.