SCHEMBL21044461

SCHEMBL21044461

Nc1ncc(-c2cnccn2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 4/20 0.49
▸ FEN1 P39748 4/20 0.49
▸ MAPT P10636 2/20 0.49
▸ PIK3CD O00329 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ PI4KA P42356 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41
▸ VRK1 Q99986 1/20 0.40
▸ PIM1 P11309 2/20 0.39
▸ PIM2 Q9P1W9 2/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ CYP11B2 P19099 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ DHFR P00374 1/20 0.36
▸ EIF2AK2 P19525 1/20 0.36
▸ CYP2D6 P10635 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35

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
SCHEMBL24018528 0.81 ALOX5AP (0.48) ALOX5APFEN1MAPTPIK3CDPIK3CA
SCHEMBL19227074 0.79 MAP4K4 (0.47) ALOX5APFEN1PIK3CDPIK3CAPIK3CB
SCHEMBL21044391 0.77 ALOX5AP (0.51) ALOX5APFEN1PIK3CDPIK3CAPIK3CB
SCHEMBL18812089 0.77 ALOX5AP (0.43) ALOX5APFEN1MAPTPIK3CDPIK3CA
SCHEMBL19227077 0.75 PIK3CD (0.38) ALOX5APFEN1MAPTPIK3CDPIK3CA
SCHEMBL25524144 0.75 CYP11B2 (0.55) ALOX5APFEN1MAPTVRK1PIM1
SCHEMBL16640379 0.74 ALOX5AP (0.48) ALOX5APFEN1PIK3CDPIK3CAPIK3CB
SCHEMBL16835804 0.74 FYN (0.52) MAPTHSP90AA1
SCHEMBL30726498 0.72 ALOX5AP (0.49) ALOX5APFEN1MAPTPIK3CDPIK3CA
SCHEMBL19376815 0.72 CYP11B2 (0.43) ALOX5APFEN1PIM1PIM2CYP11B2

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 ALOX5AP 4453/4885FEN1 3571/4885MAPT 2491/4885
US-20210002269-A1 COMPOUNDS UGT1A1, CYP1A1, CYP19A1 ALOX5AP 4072/4885FEN1 2786/4885MAPT 2044/4885

“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.

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