SCHEMBL2907415

SCHEMBL2907415

CC1CN(C(=O)OC(C)(C)C)Cc2ccc(N3CCOCC3)nc21

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.46
MTOR P42345 2/20 0.46
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PIK3CD O00329 1/20 0.42
GPR119 Q8TDV5 4/20 0.41
MAP4K4 O95819 1/20 0.41
USP30 Q70CQ3 2/20 0.40
ESR2 Q92731 1/20 0.40
RECQL P46063 1/20 0.40
NR1H2 P55055 1/20 0.39
PIK3R1 P27986 1/20 0.39

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
SCHEMBL4203467 0.91 PIK3CD (0.44) PIK3CAMTORUSP2SMN1; SMN2PIK3CD
SCHEMBL4015800 0.91 PIK3CD (0.44) PIK3CAMTORUSP2SMN1; SMN2PIK3CD
SCHEMBL4015804 0.91 PIK3CD (0.44) PIK3CAMTORUSP2SMN1; SMN2PIK3CD
SCHEMBL4202068 0.87 PIK3CD (0.42) PIK3CAMTORUSP2SMN1; SMN2PIK3CD
SCHEMBL4009808 0.87 PIK3CD (0.42) PIK3CAMTORUSP2SMN1; SMN2PIK3CD
SCHEMBL4009809 0.87 PIK3CD (0.42) PIK3CAMTORUSP2SMN1; SMN2PIK3CD
SCHEMBL2910571 0.85 KDM4E (0.41) PIK3CAPIK3CD
SCHEMBL2910573 0.85 KDM4E (0.41) PIK3CAPIK3CD
SCHEMBL2913101 0.85 KDM4E (0.41) PIK3CAPIK3CD
SCHEMBL8059842 0.80 GPR119 (0.46) GPR119MAP4K4USP30ESR2NR1H2

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 PIK3CA 3931/4885MTOR 1470/4885USP2 1129/4885

“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.