SCHEMBL21044003

SCHEMBL21044003

CCOc1cncc(-c2ccc(N)nc2)n1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 5/20 0.49
PIM3 Q86V86 4/20 0.49
PIM1 P11309 3/20 0.49
CYP19A1 P11511 1/20 0.43
CTPS1 P17812 11/20 0.42
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 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
SCHEMBL21044116 0.88 PIM2 (0.40) PIM2PIM3PIM1CYP19A1PIK3CD
SCHEMBL21044410 0.84 PIM1 (0.51) PIM2PIM3PIM1CYP19A1CTPS1
SCHEMBL21044514 0.84 CYP11B2 (0.49) PIM2PIM3PIM1CYP19A1PIK3CD
SCHEMBL24369654 0.82 CTPS1 (0.45) PIM2PIM3PIM1CYP19A1CTPS1
SCHEMBL21044113 0.81 CYP11B2 (0.41) PIM2PIM3PIM1PIK3CDPI4KB
SCHEMBL21044338 0.81 PIM2 (0.43) PIM2PIM3PIM1CTPS1PIK3CD
SCHEMBL30338504 0.80 CTPS1 (0.46) PIM2PIM3PIM1CYP19A1CTPS1
SCHEMBL4907728 0.80 PIM1 (0.46) PIM2PIM3PIM1CYP19A1CTPS1
SCHEMBL21044164 0.79 PIM1 (0.50) PIM2PIM3PIM1CTPS1PIK3CD
SCHEMBL21387749 0.79 CTPS1 (0.50) PIM2PIM3PIM1CYP19A1CTPS1

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 40 patents — showing the first 20. 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-12466810-B2 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) 2025-11-11 US disclosed
US-20250282756-A1 Aminopyrimidine/pyrazine derivatives as CTPS1 inhibitors STEP PHARMA S.A.S. (FR) 2025-09-11 US disclosed
US-12371419-B2 Aminopyrimidine/pyrazine derivatives as CTPS1 inhibitors STEP PHARMA S.A.S. (FR) 2025-07-29 US disclosed
US-12331046-B2 CTPS1 inhibitors and uses thereof NIMBUS CLOTHO, INC. (US) 2025-06-17 US disclosed
US-20250066324-A1 AMINOPYRIMIDINE/PYRAZINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2025-02-27 US disclosed
US-11987573-B2 Aminopyrimidine/pyrazine derivatives as CTPS1 inhibitors STEP PHARMA S.A.S. (FR) 2024-05-21 US disclosed
CN-111868051-B Aminopyrimidine derivatives as CTPS1 inhibitors 斯泰普制药股份公司 2024-04-09 CN disclosed
CN-114008039-B Compounds as human CTPS1 inhibitors for the treatment of proliferative diseases 斯泰普制药股份公司 2024-01-16 CN disclosed
EP-3768674-B1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S A S (FR) 2024-01-03 EP disclosed
CN-114008039-A N- (5- (6-ethoxypyrazin-2-yl) pyridin-2-yl) -4- (2- (methylsulfonylamino) pyrimidin-4-yl) tetrahydro-2H-pyran-4-carboxamide derivatives and related compounds as human CTPS1 inhibitors for the treatment of proliferative diseases 斯泰普制药股份公司 2022-02-01 CN disclosed
US-20210387965-A1 Compounds STEP PHARMA S.A.S. (FR) 2021-12-16 US disclosed
CN-112839938-A Aminopyrimidine/pyrazine derivatives as CTPS1 inhibitors 斯泰普制药股份公司 2021-05-25 CN 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
CN-111868051-A Aminopyrimidine derivatives as CTPS1 inhibitors 斯泰普制药股份公司 2020-10-30 CN 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 (9 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-12371419-B2 Aminopyrimidine/pyrazine derivatives as CTPS1 inhibitors CTPS1, CTPS2, TYMS PIM2 1266/4885PIM3 1965/4885PIM1 1643/4885
US-20250282756-A1 Aminopyrimidine/pyrazine derivatives as CTPS1 inhibitors CTPS1, CTPS2, TYMS PIM2 1175/4885PIM3 1809/4885PIM1 1543/4885
US-20250066324-A1 AMINOPYRIMIDINE/PYRAZINE DERIVATIVES AS CTPS1 INHIBITORS CTPS1, CTPS2, TYMS PIM2 1266/4885PIM3 1965/4885PIM1 1643/4885
US-20210024507-A1 Compounds CYP1A1, UGT1A1, CYP1A2 PIM2 2031/4885PIM3 2231/4885PIM1 1525/4885
US-20210387965-A1 Compounds CYP1A1, UGT1A1, CYP1B1 PIM2 2384/4885PIM3 2551/4885PIM1 1667/4885
US-11987573-B2 Aminopyrimidine/pyrazine derivatives as CTPS1 inhibitors CTPS1, CTPS2, TYMS PIM2 1266/4885PIM3 1965/4885PIM1 1643/4885
US-20210002269-A1 COMPOUNDS UGT1A1, CYP1A1, CYP19A1 PIM2 2000/4885PIM3 2144/4885PIM1 1480/4885
US-12331046-B2 CTPS1 inhibitors and uses thereof CTPS1, CTPS2, ECHS1 PIM2 3060/4885PIM3 2957/4885PIM1 2993/4885
US-12466810-B2 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 CTPS1, CTPS2, TYMS PIM2 2347/4885PIM3 1889/4885PIM1 1783/4885

“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.