Sugi Predict

Sugi Predict / Compounds / SCHEMBL21044152

SCHEMBL21044152

SCHEMBL21044152

Nc1ccc(-c2cncc(C(F)(F)F)n2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.44
▸ CDK5 Q00535 1/20 0.43
▸ CDK5R1 Q15078 1/20 0.43
▸ KCNH2 Q12809 2/20 0.42
▸ NPBWR1 P48145 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ MAP4K4 O95819 1/20 0.40
▸ CTPS1 P17812 3/20 0.39
▸ MKNK1 Q9BUB5 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39
▸ MTOR P42345 2/20 0.39
▸ PIK3CA P42336 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
▸ GCK P35557 2/20 0.38
▸ GCKR Q14397 2/20 0.38
▸ CTPS2 Q9NRF8 1/20 0.37
▸ MAPK1 P28482 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
SCHEMBL21044187 0.83 KIF11 (0.44) KCNH2IRAK4CTPS1KDM4EALDH1A1
SCHEMBL22869158 0.81 GCK (0.41) PIK3CDCDK5CDK5R1MAP4K4MKNK1
SCHEMBL32663056 0.81 GCK (0.41) PIK3CDCDK5CDK5R1MAP4K4MKNK1
SCHEMBL22869107 0.79 HSD17B10 (0.36) PIK3CDCDK5CDK5R1MAP4K4MKNK1
SCHEMBL22490746 0.78 CTPS1 (0.38) KCNH2CTPS1CTPS2
SCHEMBL21044113 0.78 CYP11B2 (0.41) PIK3CDCDK5CDK5R1NPBWR1
SCHEMBL22490780 0.77 CTPS1 (0.42) CTPS1CTPS2KDM4EALDH1A1
SCHEMBL22490791 0.77 CTPS1 (0.41) KCNH2CTPS1PIK3CACTPS2
SCHEMBL21044144 0.75 CYP11B2 (0.50) KCNH2IRAK4CTPS1CTPS2KDM4E
SCHEMBL21044021 0.75 MAPT (0.41) KCNH2IRAK4MAP4K4PIK3CAKDM4E

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 24 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-12503466-B2 Aminothiazole compounds as inhibitors of CTPS1 STEP PHARMA S.A.S. (FR) 2025-12-23 — — US disclosed
US-12331046-B2 CTPS1 inhibitors and uses thereof NIMBUS CLOTHO, INC. (US) 2025-06-17 — — US disclosed
US-20240010645-A1 Aminothiazole Compounds as Inhibitors of CTPS1 STEP PHARMA S.A.S. (FR) 2024-01-11 — — US disclosed
EP-3768674-B1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S A S (FR) 2024-01-03 — — EP disclosed
EP-4232425-A1 CTPS1 INHIBITORS AND USES THEREOF Nimbus Clotho, Inc. (US) 2023-08-30 — — EP disclosed
CN-116601131-A CTPS1 inhibitor and application thereof 林伯士克洛索有限公司 2023-08-15 — — CN 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
US-20210002269-A1 COMPOUNDS STEP PHARMA S.A.S. (FR) 2021-01-07 — — US disclosed
EP-3717459-A1 COMPOUNDS Step Pharma S.A.S. (FR) 2020-10-07 — — EP disclosed
WO-2019179652-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2019-09-26 — — WO disclosed
WO-2019180244-A1 AMINOPYRIMIDINE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2019-09-26 — — WO 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 (7 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-12503466-B2 Aminothiazole compounds as inhibitors of CTPS1 CTPS1, CTPS2, TBXAS1 PIK3CD 2075/4885CDK5 742/4885CDK5R1 950/4885
US-11655246-B2 Aminothiazole compounds as inhibitors of CTPS1 CTPS1, CTPS2, TBXAS1 PIK3CD 2075/4885CDK5 742/4885CDK5R1 950/4885
US-20210024507-A1 Compounds CYP1A1, UGT1A1, CYP1A2 PIK3CD 4015/4885CDK5 1198/4885CDK5R1 1920/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 PIK3CD 4015/4885CDK5 1198/4885CDK5R1 1920/4885
US-20210002269-A1 COMPOUNDS UGT1A1, CYP1A1, CYP19A1 PIK3CD 3859/4885CDK5 1062/4885CDK5R1 1715/4885
US-12331046-B2 CTPS1 inhibitors and uses thereof CTPS1, CTPS2, ECHS1 PIK3CD 1870/4885CDK5 1362/4885CDK5R1 1336/4885
US-20240010645-A1 Aminothiazole Compounds as Inhibitors of CTPS1 CTPS1, CTPS2, TBXAS1 PIK3CD 2075/4885CDK5 742/4885CDK5R1 950/4885

“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.