SCHEMBL1009563

SCHEMBL1009563

O=C(Nc1ccccn1)c1ccccc1Cn1nc(C(F)(F)F)c2c1CCCC2

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.54
TP53 P04637 3/20 0.54
TSHR P16473 3/20 0.52
LMNA P02545 5/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 7/20 0.50
HSD17B10 Q99714 1/20 0.50
POLQ O75417 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
THRB P10828 1/20 0.48
HTT P42858 1/20 0.47

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
SCHEMBL1006940 0.87 POLB (0.56) POLBSMN1; SMN2TP53TSHRLMNA
SCHEMBL1007124 0.86 POLB (0.54) POLBSMN1; SMN2TP53TSHRLMNA
SCHEMBL1008195 0.85 POLB (0.51) POLBSMN1; SMN2TP53TSHRLMNA
SCHEMBL1895205 0.85 POLB (0.58) POLBSMN1; SMN2TP53TSHRLMNA
SCHEMBL1009646 0.85 POLB (0.55) POLBSMN1; SMN2TP53TSHRLMNA
SCHEMBL8003781 0.85 POLB (0.61) POLBSMN1; SMN2TP53TSHRLMNA
SCHEMBL1894182 0.85 POLB (0.59) POLBSMN1; SMN2TP53TSHRLMNA
SCHEMBL1007292 0.84 POLB (0.52) POLBSMN1; SMN2TP53TSHRLMNA
SCHEMBL1006454 0.84 POLB (0.68) POLBSMN1; SMN2TP53TSHRLMNA
SCHEMBL1007507 0.82 LMNA (0.58) POLBSMN1; SMN2TP53TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
US-20110118236-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
EP-2269990-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-01-05 EP disclosed
WO-2009119088-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2009-10-01 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-20110118236-A1 HETEROCYCLIC COMPOUND GRIN1, GRM1, GRIK1 POLB 3571/4885SMN1; SMN2 3616/4885TP53 3973/4885

“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.