SCHEMBL21044087

SCHEMBL21044087

Nc1ccc(-c2cncc(Cl)n2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.56
CDK2 P24941 1/20 0.48
CYP11B2 P19099 2/20 0.45
CYP11B1 P15538 1/20 0.45
LTA4H P09960 1/20 0.44
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
MAP4K4 O95819 2/20 0.41
CYP1A2 P05177 1/20 0.41
KCNH2 Q12809 1/20 0.41
MINK1 Q8N4C8 1/20 0.41
TNIK Q9UKE5 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL21044502 0.79 CYP11B2 (0.49) CDK2CYP11B2CYP11B1MEN1NPC1
SCHEMBL23121297 0.79 MKNK1 (0.46) PIK3CDLTA4HMKNK1MKNK2MAP4K4
SCHEMBL13097164 0.79 CYP11B1 (0.44) PIK3CDCYP11B2CYP11B1LTA4HMKNK1
SCHEMBL22490759 0.76 CYP11B2 (0.43) CDK2CYP11B2CYP11B1NPC1RAB9A
SCHEMBL2133755 0.75 CYP11B2 (0.51) CDK2CYP11B2CYP11B1NPC1RAB9A
SCHEMBL22490825 0.75 CYP11B2 (0.42) CDK2CYP11B2CYP11B1
SCHEMBL22490814 0.75 MAP4K4 (0.46) CYP11B2CYP11B1MAP4K4KDM4EALDH1A1
SCHEMBL21044152 0.75 PIK3CD (0.44) PIK3CDMKNK1MKNK2MAP4K4KCNH2
SCHEMBL21392091 0.75 MTOR (0.41) PIK3CDMKNK1MKNK2MAP4K4MEN1
SCHEMBL21044514 0.75 CYP11B2 (0.49) PIK3CDCYP11B2CYP11B1MKNK1MKNK2

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 6 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
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-20210002269-A1 COMPOUNDS STEP PHARMA S.A.S. (FR) 2021-01-07 US 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 (2 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-11655246-B2 Aminothiazole compounds as inhibitors of CTPS1 CTPS1, CTPS2, TBXAS1 PIK3CD 2075/4885CDK2 137/4885CYP11B2 1869/4885
US-20210002269-A1 COMPOUNDS UGT1A1, CYP1A1, CYP19A1 PIK3CD 3859/4885CDK2 177/4885CYP11B2 6/4885

“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.