SCHEMBL2911538

SCHEMBL2911538

C[C@@H]1COCCN1c1nc2c(cc1F)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTOR P42345 1/20 0.52
MAPT P10636 2/20 0.45
PIK3R1 P27986 16/20 0.44
PIK3CA P42336 16/20 0.44
ESR2 Q92731 1/20 0.41

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
SCHEMBL2912324 0.82 MTOR (0.52) MTORMAPTPIK3R1PIK3CAESR2
SCHEMBL412843 0.77 MTOR (0.61) MTORPIK3R1PIK3CA
SCHEMBL443862 0.77 MTOR (0.61) MTORPIK3R1PIK3CA
SCHEMBL30685427 0.76 ESR2 (0.53) MAPTESR2
SCHEMBL18550196 0.76 ESR2 (0.53) MAPTESR2
SCHEMBL24955630 0.76 MTOR (0.55) MTORPIK3R1PIK3CA
SCHEMBL31107005 0.76 MTOR (0.55) MTORPIK3R1PIK3CA
SCHEMBL442685 0.76 MTOR (0.55) MTORPIK3R1PIK3CA
SCHEMBL412512 0.76 MTOR (0.55) MTORPIK3R1PIK3CA
SCHEMBL15196064 0.75 MTOR (0.74) MTORPIK3R1PIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2789338-A2 Condensed pyridine derivate and use thereof Takeda Pharmaceutical Company Limited (JP) 2014-10-15 EP disclosed
US-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-21 US disclosed
EP-2216023-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-08-11 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-20100266504-A1 CONDENSED PYRIDINE DERIVATIVE AND USE THEREOF HTR2C, HTR5A, HTR3C MTOR 1470/4885MAPT 4660/4885PIK3R1 3047/4885

“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.