SCHEMBL21044256

SCHEMBL21044256

CNc1ccc(-c2cncc(C#N)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.53
CYP11B1 P15538 2/20 0.53
MAP4K4 O95819 1/20 0.46
APP P05067 1/20 0.46
KCNH2 Q12809 1/20 0.45
SCN10A Q9Y5Y9 1/20 0.45
XDH P47989 1/20 0.45
PIK3CG P48736 1/20 0.44
NR3C2 P08235 1/20 0.44
GRIA2 P42262 1/20 0.43
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
USP7 Q93009 1/20 0.41
ABL1 P00519 1/20 0.40
CTPS1 P17812 2/20 0.40
ALPL P05186 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
SCHEMBL17116617 0.82 CYP11B2 (0.62) CYP11B2CYP11B1MAP4K4XDHPIK3CG
SCHEMBL12947990 0.81 CYP11B2 (0.57) CYP11B2CYP11B1MAP4K4KCNH2SCN10A
SCHEMBL2983844 0.80 CYP11B2 (0.61) CYP11B2CYP11B1MAP4K4PIK3CGPRMT5
SCHEMBL14007397 0.78 ALDH1A1 (0.44) CYP11B2CYP11B1APPKCNH2SCN10A
SCHEMBL8203172 0.78 KCNH2 (0.50) CYP11B2CYP11B1KCNH2SCN10AXDH
SCHEMBL13006754 0.78 MMP3 (0.52) CYP11B2APP
SCHEMBL21044264 0.77 CYP11B2 (0.57) CYP11B2CYP11B1MAP4K4APPKCNH2
SCHEMBL17116450 0.77 CYP11B2 (0.61) CYP11B2CYP11B1MAP4K4PIK3CGGRIA2
SCHEMBL969074 0.77 CYP11B2 (0.61) CYP11B2CYP11B1MAP4K4XDHPIK3CG
SCHEMBL6085958 0.77 CYP11B2 (0.66) CYP11B2CYP11B1MAP4K4

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 5 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-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 CYP11B2 1869/4885CYP11B1 1418/4885MAP4K4 1996/4885
US-20210002269-A1 COMPOUNDS UGT1A1, CYP1A1, CYP19A1 CYP11B2 6/4885CYP11B1 5/4885MAP4K4 3209/4885

“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.