SCHEMBL21639716

SCHEMBL21639716

COC(=O)C1(NC(=O)OC(C)(C)C)CCN(c2ncc(N)cn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
PTPN11 Q06124 6/20 0.36
GPR119 Q8TDV5 7/20 0.35
MAPT P10636 1/20 0.34
RET P07949 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33
PPIA P62937 1/20 0.33
PIK3CD O00329 1/20 0.33
PIK3C2B O00750 1/20 0.33

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
SCHEMBL1282700 0.89 CYP3A4 (0.37) CYP3A4GPR119MAPTRETPPIA
SCHEMBL16909354 0.87 CYP3A4 (0.36) CYP3A4GPR119MAPTRETPPIA
SCHEMBL15416347 0.85 CYP3A4 (0.40) CYP3A4GPR119RETPPIA
SCHEMBL3215428 0.78 DRD2 (0.41) PPIAPIK3CDPIK3C2B
SCHEMBL1282440 0.78 PANK3 (0.39) CYP3A4PTPN11GPR119MAPTRET
SCHEMBL28713485 0.77 RET (0.41) RET
SCHEMBL15539980 0.76 GPR119 (0.34) CYP3A4PTPN11GPR119MAPTRET
SCHEMBL3489842 0.76 PAK1 (0.46) MAPT
SCHEMBL3491122 0.75 JAK3 (0.40) MAPTPPIA
SCHEMBL28719905 0.75 RET (0.42) RET

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070747-A1 2(1H)-QUINOLINONE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2021-03-11 US disclosed
EP-3604281-A1 2(1H)-QUINOLINONE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2020-02-05 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-20210070747-A1 2(1H)-QUINOLINONE DERIVATIVE TOP2A, TOP2B, TOP1 CYP3A4 233/4885PTPN11 4371/4885GPR119 4812/4885

“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.