SCHEMBL21044403

SCHEMBL21044403

Nc1ccc(-c2cnccn2)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 16/20 0.57
ALOX5AP P20292 15/20 0.57
PIM1 P11309 2/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 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
SCHEMBL2651589 0.86 ALOX5AP (0.48) FEN1ALOX5APPIM1PIM3PIM2
SCHEMBL4028337 0.82 ALOX5AP (0.54) FEN1ALOX5APPIM1NPC1RAB9A
SCHEMBL2659628 0.79 ALOX5AP (0.52) FEN1ALOX5APPIM1PIM3PIM2
SCHEMBL5243501 0.79 NPC1 (0.45) FEN1ALOX5APPIM1PIM3PIM2
SCHEMBL25393299 0.76 PLA2G7 (0.41) FEN1ALOX5APPIM1
SCHEMBL30599164 0.76 PLA2G7 (0.41) FEN1ALOX5APPIM1
SCHEMBL21044560 0.76 IMPDH2 (0.52) FEN1ALOX5AP
SCHEMBL21044588 0.76 ALOX5AP (0.39) FEN1ALOX5APPIM1PIM3PIM2
SCHEMBL16640380 0.74 ALOX5AP (0.55) FEN1ALOX5APPIM1NPC1RAB9A
SCHEMBL31140243 0.74 ALOX5AP (0.55) FEN1ALOX5APPIM1NPC1RAB9A

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 FEN1 3571/4885ALOX5AP 4453/4885PIM1 2936/4885
US-20210002269-A1 COMPOUNDS UGT1A1, CYP1A1, CYP19A1 FEN1 2786/4885ALOX5AP 4072/4885PIM1 1480/4885

“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.