SCHEMBL21044243

SCHEMBL21044243

Nc1ccc(-c2cncc(OC(F)F)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
BACE1 P56817 1/20 0.46
KCNH2 Q12809 1/20 0.46
PIK3CD O00329 1/20 0.43
PIP5K1C O60331 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PI4KA P42356 1/20 0.43
PIK3CG P48736 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
GRIN1 Q05586 3/20 0.42
GRIN2B Q13224 3/20 0.42
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
AKT1 P31749 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
INPPL1 O15357 4/20 0.40
DRD1 P21728 2/20 0.39

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
SCHEMBL21044486 0.83 PIK3CD (0.59) PRMT5WDR77KCNH2PIK3CDPIP5K1C
SCHEMBL21044530 0.83 INPPL1 (0.57) PRMT5WDR77BACE1KCNH2PIK3CD
SCHEMBL21044255 0.81 CYP11B1 (0.50) PRMT5WDR77BACE1KCNH2PIK3CD
SCHEMBL14832434 0.78 PRMT5 (0.37) PRMT5WDR77BACE1KCNH2PIK3CD
SCHEMBL3536741 0.78 DRD1 (0.57) DRD1CYP3A4ALDH1A1TP53TDP1
SCHEMBL21044298 0.77 MKNK1 (0.64) PRMT5WDR77CYP11B1CYP11B2MKNK1
Hydrochloric Acid SCHEMBL31233542 0.77 PRMT5 (0.36) PRMT5WDR77BACE1KCNH2PIK3CD
SCHEMBL11154615 0.75 CYP3A4 (0.58) CYP11B1CYP11B2MKNK1MKNK2CYP3A4
SCHEMBL17317061 0.75 BACE1 (0.41) PRMT5WDR77BACE1KCNH2PIK3CD
SCHEMBL21044099 0.73 CYP11B1 (0.60) PRMT5WDR77BACE1KCNH2PIK3CG

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 14 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
WO-2019180244-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 PRMT5 2033/4885WDR77 816/4885BACE1 3449/4885
US-20210024507-A1 Compounds CYP1A1, UGT1A1, CYP1A2 PRMT5 2436/4885WDR77 4129/4885BACE1 380/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 PRMT5 2436/4885WDR77 4129/4885BACE1 380/4885
US-20210002269-A1 COMPOUNDS UGT1A1, CYP1A1, CYP19A1 PRMT5 2529/4885WDR77 4223/4885BACE1 347/4885

“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.