SCHEMBL12374023

SCHEMBL12374023

CCn1c(C(C)N)cnc1Oc1ccc2ccncc2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MELK Q14680 4/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
MAPT P10636 3/20 0.37
CYP11B1 P15538 2/20 0.36
CYP11B2 P19099 2/20 0.36
IKBKB O14920 1/20 0.34
LNPEP Q9UIQ6 1/20 0.34
RAB9A P51151 1/20 0.34
AKT1 P31749 2/20 0.34
PIK3CD O00329 1/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
HCK P08631 1/20 0.33
SRC P12931 1/20 0.33
KDR P35968 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
MTOR P42345 1/20 0.33
PIK3CG P48736 1/20 0.33
EPHB4 P54760 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
SCHEMBL12374011 0.88 LNPEP (0.41) LNPEPRAB9A
SCHEMBL12162257 0.83 IKBKB (0.35) MELKMRGPRX4MAPTCYP11B1CYP11B2
SCHEMBL12374034 0.80 SMN1; SMN2 (0.36) MAPTRAB9A
SCHEMBL12374001 0.79 SLC6A4 (0.38) MAPTRAB9A
SCHEMBL2279090 0.79 MEN1 (0.44) PIK3CDABL1EGFRHCKSRC
SCHEMBL2280041 0.78 MEN1 (0.36) MAPTRAB9A
SCHEMBL12374006 0.78 LTA4H (0.38)
SCHEMBL2281618 0.77 LTA4H (0.39) MAPT
SCHEMBL12373975 0.77 HTT (0.42) MAPT
SCHEMBL12374028 0.77 TDP1 (0.31)

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-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 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-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE S1PR1, S1PR3, S1PR2 MELK 3490/4885MRGPRX4 184/4885MAPT 3475/4885

“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.