SCHEMBL22490780

SCHEMBL22490780

O=C(O)c1ccc(-c2cncc(C(F)(F)F)n2)cn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTPS1 P17812 7/20 0.42
P4HTM Q9NXG6 2/20 0.41
P4HA1 P13674 1/20 0.41
MIF P14174 1/20 0.41
PIM1 P11309 1/20 0.41
CSNK2A1 P68400 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CTPS2 Q9NRF8 1/20 0.40
ASPH Q12797 1/20 0.39
HPGD P15428 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
SCHEMBL24369906 0.83 MAPK1 (0.47) CTPS1KDM4EALDH1A1CTPS2HPGD
SCHEMBL31301464 0.82 KCNH2 (0.42)
SCHEMBL21391994 0.82 CHEK1 (0.56) CTPS1KDM4EALDH1A1HPGD
SCHEMBL24088666 0.78 RXRB (0.53) CTPS1PIM1CSNK2A1KDM4E
SCHEMBL30455283 0.78 RXRB (0.53) CTPS1PIM1CSNK2A1KDM4E
SCHEMBL21044152 0.77 PIK3CD (0.44) CTPS1KDM4EALDH1A1CTPS2
SCHEMBL22490814 0.77 MAP4K4 (0.46) P4HTMP4HA1MIFPIM1CSNK2A1
SCHEMBL22490791 0.77 CTPS1 (0.41) CTPS1CTPS2
SCHEMBL24088712 0.76 CYP11B2 (0.49) CTPS1PIM1CSNK2A1CTPS2
SCHEMBL30455804 0.76 CYP11B2 (0.49) CTPS1PIM1CSNK2A1CTPS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3717465-B1 COMPOUNDS STEP PHARMA S A S (FR) 2026-01-21 EP disclosed
US-20250263407-A1 Compounds STEP PHARMA S.A.S. (FR) 2025-08-21 US disclosed
US-12319680-B2 Compounds STEP PHARMA S.A.S. (FR) 2025-06-03 US disclosed
US-20230183229-A1 Compounds SYGNATURE DISCOVERY LIMITED (GB) 2023-06-15 US disclosed
US-20230183229-A1 Compounds SYGNATURE DISCOVERY LIMITED (GB) 2023-06-15 US disclosed
US-20230183229-A1 Compounds SYGNATURE DISCOVERY LIMITED (GB) 2023-06-15 US disclosed
US-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS DISCOVERY, INC. 2023-03-09 US disclosed
US-11505547-B2 Compounds STEP PHARMA S.A.S. (FR) 2022-11-22 US disclosed
WO-2022087634-A1 CTPS1 INHIBITORS AND USES THEREOF NIMBUS CLOTHO, INC. (US) 2022-04-28 WO disclosed
US-20210380575-A1 COMPOUNDS SYGNATURE DISCOVERY LIMITED (GB) 2021-12-09 US disclosed
US-20210380575-A1 COMPOUNDS SYGNATURE DISCOVERY LIMITED (GB) 2021-12-09 US disclosed
EP-3717465-A1 COMPOUNDS Step Pharma S.A.S. (FR) 2020-10-07 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 (6 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-20230183229-A1 Compounds UGT1A1, CYP1A1, CYP1B1 CTPS1 2556/4885P4HTM 2398/4885P4HA1 464/4885
US-12319680-B2 Compounds UGT1A1, CYP1A1, CYP1B1 CTPS1 2556/4885P4HTM 2398/4885P4HA1 464/4885
US-20250263407-A1 Compounds CYP1A1, UGT1A1, CYP1A2 CTPS1 2586/4885P4HTM 2315/4885P4HA1 560/4885
US-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF CTPS1, CTPS2, ECHS1 CTPS1 1/4885P4HTM 990/4885P4HA1 1390/4885
US-11505547-B2 Compounds UGT1A1, CYP1A1, CYP1B1 CTPS1 2556/4885P4HTM 2398/4885P4HA1 464/4885
US-20210380575-A1 COMPOUNDS UGT1A1, CYP1A1, CYP1B1 CTPS1 2556/4885P4HTM 2398/4885P4HA1 464/4885

“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.