SCHEMBL1007243

SCHEMBL1007243

CCn1ncc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1C(N)=O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.63
SMN1; SMN2 Q16637 4/20 0.60
MAPT P10636 6/20 0.60
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2C19 P33261 1/20 0.59
TSHR P16473 3/20 0.58
GAA P10253 2/20 0.58
HSD17B10 Q99714 1/20 0.58
TP53 P04637 4/20 0.58
LMNA P02545 3/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL1008136 0.90 POLB (0.61) POLBSMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL1005372 0.89 ALDH1A1 (0.53) POLBSMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL1008407 0.88 ALDH1A1 (0.50) POLBSMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL1008257 0.84 LMNA (0.45) POLBSMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL1082184 0.81 LMNA (0.43) POLBSMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL1083677 0.81 POLB (0.44) POLBSMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL1894438 0.81 MAPT (0.65) POLBSMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL1005566 0.80 SMN1; SMN2 (0.44) POLBSMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL1007695 0.79 TP53 (0.80) POLBSMN1; SMN2MAPTCYP1A2CYP3A4
SCHEMBL1007433 0.79 POLB (0.62) POLBSMN1; SMN2MAPTCYP1A2CYP3A4

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 3616/4885MAPT 4623/4885

“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.