SCHEMBL21044043

SCHEMBL21044043

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 4/20 0.55
PIK3CD O00329 4/20 0.50
KCNH2 Q12809 2/20 0.47
BACE1 P56817 1/20 0.47
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
LTA4H P09960 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNB3 Q05901 1/20 0.40
NPBWR1 P48145 1/20 0.40
PIK3CG P48736 1/20 0.40
MAP4K4 O95819 2/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
DYRK1A Q13627 1/20 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
SCHEMBL21044048 0.85 BACE1 (0.49) INPPL1KCNH2BACE1ALDH1A1MAPT
SCHEMBL21076862 0.81 INPPL1 (0.59) INPPL1PIK3CDKCNH2BACE1CYP11B1
SCHEMBL21044336 0.81 CYP11B2 (0.51) KCNH2BACE1ALDH1A1MAPTCYP11B1
SCHEMBL22869172 0.78 INPPL1 (0.56) INPPL1PIK3CDBACE1ALDH1A1MAPT
SCHEMBL9936469 0.77 CYP11B1 (0.57) INPPL1PIK3CDBACE1CYP11B1CYP11B2
SCHEMBL2762443 0.77 PIK3CD (0.56) INPPL1PIK3CDKCNH2CYP11B1CYP11B2
SCHEMBL21044530 0.77 INPPL1 (0.57) INPPL1PIK3CDKCNH2BACE1CYP11B1
SCHEMBL18172012 0.76 ALDH1A1 (0.50) PIK3CDKCNH2ALDH1A1MAPTLTA4H
SCHEMBL24534141 0.75 ALDH1A1 (0.63) KCNH2BACE1ALDH1A1MAPTCYP1A2
SCHEMBL488916 0.74 INPPL1 (0.72) INPPL1PIK3CDKCNH2LTA4HCHRNB1

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 11 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-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-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 INPPL1 1615/4885PIK3CD 2075/4885KCNH2 4457/4885
US-20210024507-A1 Compounds CYP1A1, UGT1A1, CYP1A2 INPPL1 4404/4885PIK3CD 4015/4885KCNH2 1212/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 INPPL1 4404/4885PIK3CD 4015/4885KCNH2 1212/4885
US-20210002269-A1 COMPOUNDS UGT1A1, CYP1A1, CYP19A1 INPPL1 4195/4885PIK3CD 3859/4885KCNH2 1401/4885

“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.