SCHEMBL1314769

SCHEMBL1314769

Cn1nc(-c2ccc(CN)cc2)nc1C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 11/20 0.50
ADRB2 P07550 1/20 0.41
SIGMAR1 Q99720 1/20 0.38
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
HRH1 P35367 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
GFER P55789 1/20 0.35
MTOR P42345 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL1312197 0.82 L3MBTL1 (0.50) AOC3SIGMAR1RAB9ANPC1MAPT
SCHEMBL1314155 0.78 KDM4C (0.46) AOC3RAB9ANPC1HRH1MAPT
SCHEMBL21914805 0.74 AOC3 (0.53) AOC3RAB9ANPC1MAPT
SCHEMBL9822796 0.71 TGFBR1 (0.41) AOC3
SCHEMBL1312572 0.69 NPC1 (0.68) AOC3RAB9ANPC1HPGD
SCHEMBL1312565 0.69 NPC1 (0.68) AOC3RAB9ANPC1HPGD
SCHEMBL21914583 0.69 AOC3 (0.57) AOC3RAB9ANPC1MAPTMTOR
SCHEMBL10693416 0.68 KCNH2 (0.38) AOC3
SCHEMBL1313667 0.68 NPC1 (0.65) AOC3RAB9ANPC1
SCHEMBL21888993 0.67 AOC3 (1.00) AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 US disclosed
US-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 US disclosed
US-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION 2011-11-10 US disclosed
WO-2010033701-A2 INHIBITORS OF SPHINGOSINE KINASE 1 GENZYME CORPORATION (US) 2010-03-25 WO 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-20110275673-A1 INHIBITORS OF SPHINGOSINE KINASE 1 SPHK1, SPHK2, S1PR1 AOC3 1777/4885ADRB2 1940/4885SIGMAR1 1986/4885

“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.