SCHEMBL21044530

SCHEMBL21044530

Nc1ccc(-c2cncc(OC(F)F)c2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 5/20 0.57
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
KCNH2 Q12809 2/20 0.44
BACE1 P56817 1/20 0.44
PIK3CD O00329 5/20 0.44
PIK3CG P48736 2/20 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
PI4KB Q9UBF8 1/20 0.43
GRIN1 Q05586 2/20 0.42
GRIN2B Q13224 2/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
LTA4H P09960 1/20 0.42
MAP4K4 O95819 2/20 0.41
DYRK1A Q13627 1/20 0.40
DYRK1B Q9Y463 1/20 0.40

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) INPPL1PRMT5WDR77KCNH2BACE1
SCHEMBL9936469 0.80 CYP11B1 (0.57) INPPL1BACE1PIK3CDPIK3CGCYP11B1
SCHEMBL21044255 0.78 CYP11B1 (0.50) INPPL1PRMT5WDR77KCNH2BACE1
SCHEMBL17317061 0.78 BACE1 (0.41) INPPL1PRMT5WDR77KCNH2BACE1
SCHEMBL21076862 0.77 INPPL1 (0.59) INPPL1PRMT5WDR77KCNH2BACE1
SCHEMBL21044043 0.77 INPPL1 (0.55) INPPL1KCNH2BACE1PIK3CDPIK3CG
SCHEMBL489020 0.75 INPPL1 (0.88) INPPL1
SCHEMBL22869172 0.75 INPPL1 (0.56) INPPL1BACE1PIK3CDPIK3CGCYP11B1
SCHEMBL1002255 0.75 MPO (0.43) PIK3CDLTA4H
SCHEMBL16826172 0.74 PIK3CD (0.51) INPPL1KCNH2PIK3CDPIK3CGCYP11B1

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 6 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
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-20210002269-A1 COMPOUNDS STEP PHARMA S.A.S. (FR) 2021-01-07 US 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 (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-11655246-B2 Aminothiazole compounds as inhibitors of CTPS1 CTPS1, CTPS2, TBXAS1 INPPL1 1615/4885PRMT5 2033/4885WDR77 816/4885
US-20210002269-A1 COMPOUNDS UGT1A1, CYP1A1, CYP19A1 INPPL1 4195/4885PRMT5 2529/4885WDR77 4223/4885

“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.