SCHEMBL16856935

SCHEMBL16856935

COC(OC)c1c(Cl)cnc(N2CCOCC2)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.44
KDM4E B2RXH2 3/20 0.44
PIK3CA P42336 2/20 0.42
MTOR P42345 2/20 0.42
MAPT P10636 3/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALK Q9UM73 2/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
NOS1 P29475 1/20 0.35
PDE10A Q9Y233 1/20 0.35
INSR P06213 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
LRRK2 Q5S007 2/20 0.34
MAP2K7 O14733 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 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
SCHEMBL16856807 0.88 HTT (0.37) KDM4EMAPTTHRBSMN1; SMN2ALK
SCHEMBL16856861 0.84 POLB (0.42) KDM4EMAPTALKHTTKMT2A
SCHEMBL16856959 0.82 SMO (0.39) KDM4EPIK3CAMTORMAPTSMN1; SMN2
SCHEMBL21246853 0.75 GAA (0.47) GAAKDM4EPIK3CAMTORMAPT
SCHEMBL21262179 0.72 KDM4E (0.47) GAAKDM4EPIK3CAMTORMAPT
SCHEMBL16857314 0.70 KDM4E (0.35) KDM4EKMT2A
SCHEMBL16856864 0.69
SCHEMBL16857143 0.69 MAPT (0.33) MAPTCYP1A2
SCHEMBL16856958 0.69 PIK3CA (0.35) PIK3CAMTOR
SCHEMBL3544476 0.68 MAPT (0.54) GAAKDM4EPIK3CAMAPTTHRB

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-20150299188-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-10-22 US disclosed
EP-2889291-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-07-01 EP 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-20150299188-A1 HETEROCYCLIC COMPOUND PTGIS, LIPG, FEN1 GAA 861/4885KDM4E 2873/4885PIK3CA 791/4885

“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.