SCHEMBL21044091

SCHEMBL21044091

Nc1ccc(-c2cncc(OCC(F)(F)F)n2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 5/20 0.53
CYP11B1 P15538 3/20 0.44
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
PIM3 Q86V86 7/20 0.39
PIM1 P11309 5/20 0.39
PIM2 Q9P1W9 7/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
G6PD P11413 1/20 0.39
ALOX15 P16050 1/20 0.39
CASP1 P29466 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL21044419 0.84 PIM2 (0.51) CYP11B2CYP11B1PIM3PIM1PIM2
SCHEMBL21044595 0.82 CYP11B2 (0.43) CYP11B2CYP11B1ALOX5APFEN1PIM3
SCHEMBL21387623 0.81 CYP11B2 (0.53) CYP11B2CYP11B1PIM3PIM1PIM2
SCHEMBL24088759 0.81 CYP11B2 (0.49) CYP11B2CYP11B1PIM3PIM1PIM2
SCHEMBL30455860 0.81 CYP11B2 (0.49) CYP11B2CYP11B1PIM3PIM1PIM2
SCHEMBL21044113 0.80 CYP11B2 (0.41) CYP11B2ALOX5APFEN1PIM3PIM1
SCHEMBL21373703 0.80 CYP11B2 (0.67) CYP11B2CYP11B1PIM3PIM1PIM2
SCHEMBL21044144 0.78 CYP11B2 (0.50) CYP11B2CYP11B1FEN1PIM1KDM4E
SCHEMBL32663050 0.78 CYP11B2 (0.50) CYP11B2CYP11B1FEN1PIM1KDM4E
SCHEMBL24088757 0.78 CYP11B2 (0.52) CYP11B2CYP11B1ALDH1A1CASP1HSD17B10

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 CYP11B2 1869/4885CYP11B1 1418/4885ALOX5AP 4453/4885
US-20210024507-A1 Compounds CYP1A1, UGT1A1, CYP1A2 CYP11B2 9/4885CYP11B1 10/4885ALOX5AP 3643/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 CYP11B2 9/4885CYP11B1 10/4885ALOX5AP 3643/4885
US-20210002269-A1 COMPOUNDS UGT1A1, CYP1A1, CYP19A1 CYP11B2 6/4885CYP11B1 5/4885ALOX5AP 4072/4885

“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.