SCHEMBL21044486

SCHEMBL21044486

CC(C)Oc1cncc(-c2ccc(N)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.59
PIP5K1C O60331 1/20 0.59
PIK3CA P42336 1/20 0.59
PIK3CB P42338 1/20 0.59
PI4KA P42356 1/20 0.59
PIK3CG P48736 1/20 0.59
PI4KB Q9UBF8 1/20 0.59
CYP11B1 P15538 3/20 0.55
CYP11B2 P19099 3/20 0.55
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
FDPS P14324 1/20 0.46
MAP4K4 O95819 1/20 0.46
INPPL1 O15357 4/20 0.45
MKNK1 Q9BUB5 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
BTK Q06187 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41

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
SCHEMBL21044243 0.83 PRMT5 (0.49) PIK3CDPIP5K1CPIK3CAPIK3CBPI4KA
SCHEMBL12896100 0.83 GABRA1 (0.54) PIK3CDPIP5K1CPIK3CAPIK3CBPI4KA
SCHEMBL21044298 0.81 MKNK1 (0.64) CYP11B1CYP11B2PRMT5WDR77MAP4K4
SCHEMBL21044053 0.80 CYP11B1 (0.66) PIK3CDPIP5K1CPIK3CAPIK3CBPI4KA
SCHEMBL25099193 0.78 RXRA (0.67) PIK3CDPIP5K1CPIK3CAPIK3CBPI4KA
SCHEMBL3940185 0.78 PIK3CD (0.46) PIK3CDPIP5K1CPIK3CAPIK3CBPI4KA
Hydrochloric Acid SCHEMBL17673239 0.77 PIK3CD (0.44) PIK3CDPIP5K1CPIK3CAPIK3CBPI4KA
SCHEMBL21044099 0.77 CYP11B1 (0.60) PIK3CGCYP11B1CYP11B2PRMT5WDR77
SCHEMBL25099190 0.76 MKNK1 (0.55) PIK3CDPIP5K1CPIK3CAPIK3CBPI4KA
SCHEMBL11154615 0.75 CYP3A4 (0.58) CYP11B1CYP11B2MAP4K4MKNK1MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3717459-B1 COMPOUNDS STEP PHARMA S A S (FR) 2026-01-21 EP disclosed
EP-3768674-B1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S A S (FR) 2024-01-03 EP disclosed
US-20230192673-A1 Compounds STEP PHARMA S.A.S. (FR) 2023-06-22 US disclosed
US-20230192673-A1 Compounds STEP PHARMA S.A.S. (FR) 2023-06-22 US disclosed
US-11655246-B2 Aminothiazole compounds as inhibitors of CTPS1 STEP PHARMA S.A.S. (FR) 2023-05-23 US disclosed
US-11655246-B2 Aminothiazole compounds as inhibitors of CTPS1 STEP PHARMA S.A.S. (FR) 2023-05-23 US disclosed
US-20210024507-A1 Compounds STEP PHARMA S A S (FR) 2021-01-28 US disclosed
US-20210002269-A1 COMPOUNDS STEP PHARMA S.A.S. (FR) 2021-01-07 US disclosed
WO-2019179652-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2019-09-26 WO disclosed
EP-3543232-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS Step Pharma S.A.S. (FR) 2019-09-25 EP disclosed
EP-3543232-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS Step Pharma S.A.S. (FR) 2019-09-25 EP disclosed
EP-3492454-A1 COMPOUNDS Step Pharma S.A.S. (FR) 2019-06-05 EP disclosed
EP-3492454-A1 COMPOUNDS Step Pharma S.A.S. (FR) 2019-06-05 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 (4 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-11655246-B2 Aminothiazole compounds as inhibitors of CTPS1 CTPS1, CTPS2, TBXAS1 PIK3CD 2075/4885PIP5K1C 1422/4885PIK3CA 2545/4885
US-20210024507-A1 Compounds CYP1A1, UGT1A1, CYP1A2 PIK3CD 4015/4885PIP5K1C 3840/4885PIK3CA 2975/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 PIK3CD 4015/4885PIP5K1C 3840/4885PIK3CA 2975/4885
US-20210002269-A1 COMPOUNDS UGT1A1, CYP1A1, CYP19A1 PIK3CD 3859/4885PIP5K1C 3546/4885PIK3CA 2785/4885

“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.