SCHEMBL103979

SCHEMBL103979

CC(C)c1ccc(NCCCN)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17A Q9UEE5 2/20 0.55
STK17B O94768 1/20 0.55
SYK P43405 1/20 0.44
MAPT P10636 4/20 0.43
CTSK P43235 1/20 0.40
TACR2 P21452 1/20 0.40
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
EPHX1 P07099 1/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
KIF11 P52732 1/20 0.40
PRSS1 P07477 4/20 0.39
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39

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
SCHEMBL15586619 0.94 STK17B (0.50) STK17ASTK17BSYKMAPTCTSK
SCHEMBL11935539 0.93 STK17B (0.49) STK17ASTK17BSYKMAPTCTSK
SCHEMBL4409856 0.88 STK17B (0.43) STK17ASTK17BMAPTCTSKGAA
SCHEMBL2064181 0.88 MAPT (0.54) MAPTCTSKGAAALDH1A1EPHX1
SCHEMBL11748511 0.83 MAPT (0.52) STK17AMAPTGAAALDH1A1PRSS1
SCHEMBL854855 0.82 EPHX1 (0.51) STK17ASTK17BMAPTGAAALDH1A1
SCHEMBL12461775 0.82 PRSS1 (0.40) STK17ASTK17BMAPTGAAALDH1A1
SCHEMBL11113503 0.81 ALDH1A1 (0.47) STK17ASTK17BMAPTALDH1A1EPHX1
SCHEMBL11117632 0.81 STK17B (0.45) STK17ASTK17BMAPTGAAALDH1A1
SCHEMBL20883650 0.80 MAPT (0.46) STK17ASTK17BMAPTCTSKGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013170072-A2 COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL DISORDERS NEUROP, INC. (US) 2013-11-14 WO disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 STK17A 448/4885STK17B 421/4885SYK 3232/4885

“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.