SCHEMBL14960416

SCHEMBL14960416

CC(=O)Nc1nc(C)c(C(C)(C)C)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.59
PIK3CG P48736 11/20 0.54
PIK3CA P42336 3/20 0.51
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
PIK3CD O00329 2/20 0.48
PIK3CB P42338 2/20 0.48
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
LCK P06239 1/20 0.46
APEX1 P27695 1/20 0.45
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL13015630 0.84 KMT2A (0.58) KMT2AALDH1A1HPGDLMNAGAA
SCHEMBL24417711 0.82 PIK3CG (0.43) KMT2APIK3CGPIK3CAALDH1A1HPGD
SCHEMBL13801888 0.81 DYRK1A (0.44) KMT2APIK3CGPIK3CAALDH1A1HPGD
SCHEMBL24417763 0.81 DYRK1A (0.48) PIK3CGPIK3CAALDH1A1HPGDNPC1
SCHEMBL2753548 0.80 RAB9A (0.57) KMT2AALDH1A1LMNALCKMEN1
SCHEMBL155142 0.77 RAB9A (0.57) KMT2APIK3CGPIK3CAALDH1A1HPGD
SCHEMBL1621933 0.77 KMT2A (0.49) KMT2APIK3CGPIK3CAALDH1A1PIK3CD
SCHEMBL3782912 0.75 KMT2A (0.46) KMT2AALDH1A1HPGDLMNAGAA
SCHEMBL1620953 0.75 KMT2A (0.46) KMT2APIK3CGPIK3CAALDH1A1PIK3CD
SCHEMBL924824 0.74 ALDH1A1 (0.53) PIK3CGPIK3CAALDH1A1HPGDPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210047312-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE GAMMA ASTRAZENECA AB (SE) 2021-02-18 US disclosed
US-10858355-B2 Inhibitors of phosphatidylinositol 3-kinase gamma ASTRAZENECA AB (SE) 2020-12-08 US disclosed
US-20200299289-A1 NOVEL INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE GAMMA ASTRAZENECA AB (SE) 2020-09-24 US disclosed
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-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
US-8846936-B2 Sulfonyl compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-30 US disclosed
US-20130184315-A1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-07-18 US disclosed
EP-2217565-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-05-22 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 (6 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 2270/4885PIK3CG 14/4885PIK3CA 2/4885
US-20210047312-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE GAMMA PIK3CD, PIK3CG, PIK3CA KMT2A 3246/4885PIK3CG 2/4885PIK3CA 3/4885
US-20130184315-A1 SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR CNR2, CNR1, GPR52 KMT2A 3333/4885PIK3CG 2043/4885PIK3CA 2090/4885
US-20170137420-A1 PYRIDINO[1,2-A]PYRIMIDONE ANALOGUE USED AS P13K INHIBITOR PIK3CA, PIK3CD, PIP5K1B KMT2A 1648/4885PIK3CG 12/4885PIK3CA 1/4885
US-10858355-B2 Inhibitors of phosphatidylinositol 3-kinase gamma PIK3CD, PIK3CG, PIK3CA KMT2A 3246/4885PIK3CG 2/4885PIK3CA 3/4885
US-20200299289-A1 NOVEL INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE GAMMA PI4KA, PIK3CD, PI4KB KMT2A 3015/4885PIK3CG 4/4885PIK3CA 7/4885

“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.