SCHEMBL1007770

SCHEMBL1007770

Cn1nc(C2CC2)cc1NC(=O)Cn1nc(C(F)(F)F)c2c1CCCC2

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
SMN1; SMN2 Q16637 4/20 0.60
TSHR P16473 4/20 0.59
TP53 P04637 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
LMNA P02545 4/20 0.58
POLB P06746 1/20 0.57
ALDH1A1 P00352 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL1007299 0.76 MAPT (0.66) MAPTSMN1; SMN2TSHRTP53CYP1A2
SCHEMBL1894438 0.76 MAPT (0.65) MAPTSMN1; SMN2TSHRTP53CYP1A2
SCHEMBL1895020 0.76 MAPT (0.67) MAPTSMN1; SMN2TSHRTP53CYP1A2
SCHEMBL1894400 0.76 MAPT (0.67) MAPTSMN1; SMN2TSHRTP53CYP1A2
SCHEMBL1007707 0.74 POLB (0.81) MAPTSMN1; SMN2TSHRTP53CYP1A2
SCHEMBL8004881 0.74 MAPT (0.78) MAPTSMN1; SMN2TSHRTP53CYP1A2
SCHEMBL1007403 0.74 MAPT (0.80) MAPTSMN1; SMN2TSHRTP53CYP1A2
SCHEMBL1008738 0.74 MAPT (0.59) MAPTSMN1; SMN2TSHRTP53CYP1A2
SCHEMBL1008136 0.74 POLB (0.61) MAPTSMN1; SMN2TSHRTP53CYP1A2
SCHEMBL1890276 0.73 TP53 (0.93) MAPTSMN1; SMN2TSHRTP53LMNA

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 5 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
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 MAPT 4623/4885SMN1; SMN2 3616/4885TSHR 134/4885

“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.