SCHEMBL18840280

SCHEMBL18840280

COc1nc(C)c(C(C)(C)C)s1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
APEX1 P27695 1/20 0.37
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
PTGS2 P35354 2/20 0.32
PTGS1 P23219 1/20 0.32
PDE2A O00408 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE3A Q14432 1/20 0.31
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL21721608 0.78 PTGS2 (0.32) KMT2APTGS2PTGS1
SCHEMBL21721532 0.77 PTGS1 (0.31) KMT2APTGS2PTGS1
SCHEMBL21721535 0.77 PTGS1 (0.31) KMT2APTGS2PTGS1
SCHEMBL25111545 0.74 F2RL3 (0.31)
SCHEMBL2732554 0.72 KMT2A (0.56) KMT2AAPEX1ALDH1A1LMNAGAA
SCHEMBL5157927 0.70 PDE2A (0.33) PDE2APDE4DPDE3APDE10A
SCHEMBL10227000 0.70 KMT2A (0.54) KMT2AAPEX1ALDH1A1LMNAGAA
SCHEMBL662111 0.70 KMT2A (0.54) KMT2AAPEX1ALDH1A1LMNAGAA
SCHEMBL21720559 0.70 PTGS2 (0.32) ALDH1A1PTGS2PTGS1
SCHEMBL16441754 0.68

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
US-9868737-B2 Pyridino[1,2-A]pyrimidone analogue used as MTOR/P13K inhibitor CISEN PHARMACEUTICAL CO., LTD. (CN) 2018-01-16 US disclosed
US-20170137420-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS P13K INHIBITOR CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) 2017-05-18 US disclosed
US-20170129888-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS MTOR/P13K INHIBITOR SHANGHAI JIA TAN PHARMATECH CO. LTD. (CN) 2017-05-11 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 (2 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-20170129888-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS MTOR/P13K INHIBITOR MTOR, PIK3CA, PIK3CD KMT2A 2270/4885APEX1 2655/4885ALDH1A1 1561/4885
US-20170137420-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS P13K INHIBITOR PIK3CA, PIK3CD, PIP5K1B KMT2A 1648/4885APEX1 2673/4885ALDH1A1 1052/4885

“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.