SCHEMBL21044342

SCHEMBL21044342

Cc1cc(-c2cncc(Cl)n2)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CYP11B2 P19099 5/20 0.49
CYP11B1 P15538 4/20 0.49
APP P05067 1/20 0.43
BACE1 P56817 1/20 0.43
CDK2 P24941 1/20 0.40
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
TP53 P04637 1/20 0.37
HPGD P15428 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
SCHEMBL25524170 0.83 ALDH1A1 (0.53) ALDH1A1CYP3A4TSHRTDP1CYP11B2
SCHEMBL23153820 0.78 CYP11B2 (0.44) CYP11B2CYP11B1BACE1CDK2PIM1
SCHEMBL27261220 0.78 MKNK1 (0.53) TDP1CYP11B2CYP11B1PIM1SCN2A
SCHEMBL21373832 0.77 ALDH1A1 (0.46) ALDH1A1CYP3A4TSHRTDP1CYP11B2
SCHEMBL21044075 0.77 CYP11B2 (0.56) ALDH1A1CYP3A4TSHRTDP1CYP11B2
SCHEMBL21044502 0.75 CYP11B2 (0.49) ALDH1A1CYP3A4TDP1CYP11B2CYP11B1
SCHEMBL4901225 0.75 CYP11B2 (0.49) ALDH1A1TDP1CYP11B2CYP11B1CDK2
SCHEMBL20660744 0.75 ALDH1A1 (0.43) ALDH1A1CYP3A4TSHRTDP1APP
SCHEMBL21044194 0.75 PIM2 (0.52) ALDH1A1CYP3A4TSHRTDP1CYP11B2
SCHEMBL16415305 0.74 ALDH1A1 (0.48) ALDH1A1CYP3A4TSHRTDP1CYP11B2

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 19 patents. 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
CN-111868051-B Aminopyrimidine derivatives as CTPS1 inhibitors 斯泰普制药股份公司 2024-04-09 CN disclosed
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-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-20230020663-A1 SULFONAMIDE INHIBITORS AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2023-01-19 US disclosed
US-20230002352-A1 SULFONAMIDE DERIVATIVES AS CTPS1 INHIBITORS STEP PHARMA S.A.S. (FR) 2023-01-05 US disclosed
EP-4041723-A2 SULFONAMIDE DERIVATIVES AS CTPS1 INHIBITORS Step Pharma S.A.S. (FR) 2022-08-17 EP disclosed
EP-4041715-A1 SULFONAMIDE INHIBITORS AS CTPS 1 INHIBITORS Step Pharma S.A.S. (FR) 2022-08-17 EP 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
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 (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-20230020663-A1 SULFONAMIDE INHIBITORS AS CTPS1 INHIBITORS CTPS1, CTPS2, TYMS ALDH1A1 1517/4885CYP3A4 2889/4885TSHR 3110/4885
US-11655246-B2 Aminothiazole compounds as inhibitors of CTPS1 CTPS1, CTPS2, TBXAS1 ALDH1A1 3425/4885CYP3A4 2897/4885TSHR 3556/4885
US-20230002352-A1 SULFONAMIDE DERIVATIVES AS CTPS1 INHIBITORS CTPS1, CTPS2, TYMS ALDH1A1 978/4885CYP3A4 2944/4885TSHR 2483/4885
US-20210024507-A1 Compounds CYP1A1, UGT1A1, CYP1A2 ALDH1A1 166/4885CYP3A4 13/4885TSHR 3964/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 ALDH1A1 166/4885CYP3A4 13/4885TSHR 3964/4885
US-20210002269-A1 COMPOUNDS UGT1A1, CYP1A1, CYP19A1 ALDH1A1 181/4885CYP3A4 22/4885TSHR 4078/4885

“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.