SCHEMBL21391994

SCHEMBL21391994

O=C(O)c1ccc(-c2cncc(C(F)(F)F)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.56
CTPS1 P17812 4/20 0.47
PIM3 Q86V86 3/20 0.46
RXRA P19793 1/20 0.45
RXRB P28702 1/20 0.45
RXRG P48443 1/20 0.45
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C8 P10632 1/20 0.42
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
CYP11B2 P19099 1/20 0.41

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
SCHEMBL30416354 0.86 CHEK1 (0.50) CHEK1CTPS1MKNK1MKNK2
SCHEMBL31491105 0.83 CHEK1 (0.75) CHEK1PIM3POLBRAB9AKDM4E
SCHEMBL24369756 0.82 CTPS1 (0.49) CHEK1CTPS1MEN1LMNAHPGD
SCHEMBL22490780 0.82 CTPS1 (0.42) CTPS1HPGDKDM4EALDH1A1
SCHEMBL21392044 0.80 CTPS1 (0.48) CHEK1CTPS1
SCHEMBL30455283 0.80 RXRB (0.53) CHEK1CTPS1RXRARXRBKDM4E
SCHEMBL24088666 0.80 RXRB (0.53) CHEK1CTPS1RXRARXRBKDM4E
SCHEMBL24088712 0.79 CYP11B2 (0.49) CTPS1PIM3CYP11B2
SCHEMBL30455804 0.79 CYP11B2 (0.49) CTPS1PIM3CYP11B2
SCHEMBL21044187 0.78 KIF11 (0.44) CTPS1KDM4EALDH1A1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250263407-A1 Compounds STEP PHARMA S.A.S. (FR) 2025-08-21 US 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-20230192673-A1 Compounds STEP PHARMA S.A.S. (FR) 2023-06-22 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
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-20210024507-A1 Compounds STEP PHARMA S A S (FR) 2021-01-28 US 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

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 CHEK1 1711/4885CTPS1 2556/4885PIM3 2366/4885
US-20250263407-A1 Compounds CYP1A1, UGT1A1, CYP1A2 CHEK1 1529/4885CTPS1 2586/4885PIM3 2231/4885
US-20230077316-A1 CTPS1 INHIBITORS AND USES THEREOF CTPS1, CTPS2, ECHS1 CHEK1 658/4885CTPS1 1/4885PIM3 2957/4885
US-20210024507-A1 Compounds CYP1A1, UGT1A1, CYP1A2 CHEK1 1529/4885CTPS1 2586/4885PIM3 2231/4885
US-20210380575-A1 COMPOUNDS UGT1A1, CYP1A1, CYP1B1 CHEK1 1711/4885CTPS1 2556/4885PIM3 2366/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 CHEK1 1529/4885CTPS1 2586/4885PIM3 2231/4885

“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.