SCHEMBL18840283

SCHEMBL18840283

CNc1nc(C)c(C(C)(C)C)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 1.00
ALDH1A1 P00352 2/20 0.53
LMNA P02545 1/20 0.53
GAA P10253 1/20 0.53
APEX1 P27695 1/20 0.40
GFER P55789 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
JAK2 O60674 3/20 0.33
EGFR P00533 3/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TSHR P16473 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
JUN P05412 1/20 0.31
NFKB1 P19838 1/20 0.31
NFKB2 Q00653 1/20 0.31
RELA Q04206 1/20 0.31
DHODH Q02127 1/20 0.31
CDK4 P11802 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
SCHEMBL24514734 0.77 KMT2A (0.62) KMT2AALDH1A1LMNAGAAGFER
SCHEMBL14960416 0.75 KMT2A (0.59) KMT2AALDH1A1LMNAGAAAPEX1
SCHEMBL13015630 0.74 KMT2A (0.58) KMT2AALDH1A1LMNAGAAAPEX1
SCHEMBL9965751 0.72
SCHEMBL2732554 0.72 KMT2A (0.56) KMT2AALDH1A1LMNAGAAAPEX1
SCHEMBL10669262 0.72 KMT2A (0.56) KMT2AALDH1A1LMNAGAAL3MBTL1
SCHEMBL2753548 0.70 RAB9A (0.57) KMT2AALDH1A1LMNAL3MBTL1RAB9A
Hydrochloric Acid SCHEMBL10668153 0.70 KMT2A (0.54) KMT2AALDH1A1LMNAGAAL3MBTL1
SCHEMBL662111 0.70 KMT2A (0.54) KMT2AALDH1A1LMNAGAAAPEX1
SCHEMBL10227000 0.70 KMT2A (0.54) KMT2AALDH1A1LMNAGAAAPEX1

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 2270/4885ALDH1A1 1561/4885LMNA 3801/4885
US-20170137420-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS P13K INHIBITOR PIK3CA, PIK3CD, PIP5K1B KMT2A 1648/4885ALDH1A1 1052/4885LMNA 3337/4885

“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.