SCHEMBL10155666

SCHEMBL10155666

CS/C(N)=N\c1cccc2ccc(N)cc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 1/20 0.47
SIGMAR1 Q99720 9/20 0.46
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
PLAU P00749 1/20 0.37
NOS1 P29475 1/20 0.37

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
SCHEMBL10155667 0.78 NOS1 (0.55) SIGMAR1MAPTMAPK1RAB9AGRIN2D
SCHEMBL5187866 0.66 POLB (0.47) SIGMAR1F2PLGMAPTGRIN2D
SCHEMBL689293 0.65 CTDSP1 (1.00) CTDSP1F2PLGGRIN2DGRIN2A
SCHEMBL31059046 0.65 CTDSP1 (1.00) CTDSP1F2PLGGRIN2DGRIN2A
SCHEMBL29849518 0.65 CTDSP1 (1.00) CTDSP1F2PLGGRIN2DGRIN2A
SCHEMBL28204381 0.65 CTDSP1 (0.59) CTDSP1F2PLGMAPTRAB9A
SCHEMBL12068359 0.65 CYP1A2 (0.63) CTDSP1PLAU
SCHEMBL29957471 0.65 CTDSP1 (0.58) CTDSP1SIGMAR1F2PLGMAPT
SCHEMBL8396207 0.65 NOS3 (0.43) MAPTRAB9ANOS1
SCHEMBL10381922 0.65 NOS3 (0.40) MAPTNOS1

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
US-20120015961-A1 ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-01-19 US disclosed
US-20120015961-A1 ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-01-19 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-20120015961-A1 ISOTHIOUREA DERIVATIVES OR ISOUREA DERIVATIVES HAVING BACE1 INHIBITORY ACTIVITY BACE1, BACE2, APP CTDSP1 1313/4885SIGMAR1 1826/4885F2 4391/4885

“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.