SCHEMBL21392200

SCHEMBL21392200

CCOc1cncc(-c2cnc(N)c(C)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 5/20 0.45
PIM2 Q9P1W9 5/20 0.45
PIM1 P11309 4/20 0.45
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
MAP4K4 O95819 1/20 0.40
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
MAPK1 P28482 1/20 0.38
CTPS1 P17812 6/20 0.36
PIK3CA P42336 2/20 0.36
PIK3R1 P27986 1/20 0.36
MTOR P42345 1/20 0.36
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35
PI4KB Q9UBF8 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
SCHEMBL21044287 0.84 PIM2 (0.44) PIM3PIM2PIM1NPC1ALDH1A1
SCHEMBL21044194 0.82 PIM2 (0.52) PIM3PIM2PIM1NPC1ALDH1A1
SCHEMBL22758458 0.79 PIM1 (0.49) PIM3PIM2PIM1NPC1ALDH1A1
SCHEMBL21044003 0.77 PIM2 (0.49) PIM3PIM2PIM1NPC1ALDH1A1
SCHEMBL21044410 0.76 PIM1 (0.51) PIM3PIM2PIM1NPC1ALDH1A1
SCHEMBL21373683 0.75 PIM2 (0.46) PIM3PIM2PIM1NPC1ALDH1A1
SCHEMBL21373732 0.74 PIM2 (0.43) PIM3PIM2PIM1NPC1ALDH1A1
SCHEMBL4907728 0.74 PIM1 (0.46) PIM3PIM2PIM1NPC1ALDH1A1
SCHEMBL21044419 0.72 PIM2 (0.51) PIM3PIM2PIM1CTPS1CYP11B1
SCHEMBL21373817 0.72 PIM2 (0.51) PIM3PIM2PIM1NPC1ALDH1A1

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 9 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-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-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

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 PIM3 3122/4885PIM2 2956/4885PIM1 2936/4885
US-20210024507-A1 Compounds CYP1A1, UGT1A1, CYP1A2 PIM3 2231/4885PIM2 2031/4885PIM1 1525/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 PIM3 2231/4885PIM2 2031/4885PIM1 1525/4885
US-20210002269-A1 COMPOUNDS UGT1A1, CYP1A1, CYP19A1 PIM3 2144/4885PIM2 2000/4885PIM1 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.