SCHEMBL21392091

SCHEMBL21392091

Nc1ccc(-c2cncc(C3CC3)n2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 4/20 0.41
PIK3CA P42336 2/20 0.41
PIM1 P11309 2/20 0.40
PIM3 Q86V86 2/20 0.40
PIM2 Q9P1W9 2/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
PIK3CD O00329 1/20 0.40
ABL1 P00519 2/20 0.39
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
CTPS1 P17812 1/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
DGAT1 O75907 3/20 0.38
MAPK1 P28482 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL22758457 0.81 CTPS1 (0.41) MTORPIK3CAPIM1PIM3PIM2
SCHEMBL22758459 0.77 CTPS1 (0.39) PIM1PIM3PIM2CTPS1DGAT1
SCHEMBL21044164 0.76 PIM1 (0.50) PIM1PIM3PIM2PIK3CDABL1
SCHEMBL13097164 0.75 CYP11B1 (0.44) MTORPIK3CAPIK3CDMKNK1MKNK2
SCHEMBL21044087 0.75 PIK3CD (0.56) PIM1PIM3PIM2PIK3CDMKNK1
SCHEMBL23121297 0.75 MKNK1 (0.46) PIK3CDMKNK1MKNK2MEN1NPC1
SCHEMBL21392090 0.74 PIM1 (0.43) PIM1PIM3PIM2CTPS1MAPK1
SCHEMBL21044427 0.74 PIM1 (0.46) PIM1PIM3PIM2ALOX5APFEN1
SCHEMBL10010206 0.73 CDK2 (0.43) PIK3CAPIM1PIM3PIM2FEN1
SCHEMBL21044544 0.71 CYP11B2 (0.52) PIK3CDMKNK1MKNK2MEN1NPC1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20210024507-A1 Compounds STEP PHARMA S A S (FR) 2021-01-28 US disclosed
WO-2020245664-A1 N-(5-(6-ETHOXYPYRAZIN-2-YL)PYRIDIN-2-YL)-4-(2-(METHYLSULFONAMIDO)PYRIMIDIN-4-YL) TETRAHYDRO-2H-PYRAN-4-CARBOXAMIDE DERIVATIVES AND RELATED COMPOUNDS AS HUMAN CTPS1 INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES STEP PHARMA S.A.S. (FR) 2020-12-10 WO disclosed
WO-2019180244-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2019-09-26 WO disclosed
WO-2019179652-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 (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-20210024507-A1 Compounds CYP1A1, UGT1A1, CYP1A2 MTOR 825/4885PIK3CA 2975/4885PIM1 1525/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 MTOR 825/4885PIK3CA 2975/4885PIM1 1525/4885

“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.