SCHEMBL13896446

SCHEMBL13896446

COC(=O)n1nc(N2CCOCC2)cc1NC(=O)CC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.40
▸ ERBB3 P21860 1/20 0.40
▸ AKT1 P31749 9/20 0.40
▸ ADORA2A P29274 1/20 0.39
▸ ADORA1 P30542 1/20 0.39
▸ SHMT2 P34897 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ PIK3CB P42338 4/20 0.37
▸ PIK3CD O00329 3/20 0.37
▸ PIK3CA P42336 3/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL13896430 0.88 ADORA2A (0.37) ADORA2AADORA1MEN1ALDH1A1KMT2A
SCHEMBL13815577 0.86 AKT1 (0.46) AKT1POLBPIK3CAKDM4EALDH1A1
SCHEMBL13815624 0.77 PIK3CD (0.41) POLBPIK3CDPIK3CAKDM4EMEN1
SCHEMBL13815653 0.74 KMT2A (0.39) KDM4EMEN1ALDH1A1THRBKMT2A
SCHEMBL13815574 0.71 PIK3CA (0.43) AKT1PIK3CAKDM4EALDH1A1GAA
SCHEMBL11026657 0.67 MAPT (0.70) POLBKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL15546643 0.66 SHMT2 (0.51) AKT1SHMT2POLBPIK3CBPIK3CD
SCHEMBL13896445 0.66 F2 (0.46) MEN1ALDH1A1KMT2ACYP3A4LMNA
SCHEMBL28315153 0.64 UCHL1 (0.54) POLBKDM4EALDH1A1GAAKMT2A
SCHEMBL15545383 0.64 MAPT (0.68) POLBMEN1ALDH1A1KMT2ASMN1; SMN2

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-8314098-B2 Pyrazolo-pyrimidine compounds AJINOMOTO CO., INC. (JP) 2012-11-20 — — US disclosed
US-20110294781-A1 PYRAZOLO-PYRIMIDINE COMPOUNDS AJINOMOTO CO., INC. (JP) 2011-12-01 — — US 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-20110294781-A1 PYRAZOLO-PYRIMIDINE COMPOUNDS IL23R, IL2, IL17A EGFR 3659/4885ERBB3 3408/4885AKT1 1157/4885

“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.

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