SCHEMBL21044401

SCHEMBL21044401

N#Cc1cc(N)ccc1-c1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 2/20 0.51
MEN1 O00255 1/20 0.51
PSIP1 O75475 1/20 0.51
MKNK1 Q9BUB5 1/20 0.51
MKNK2 Q9HBH9 1/20 0.51
KDM4E B2RXH2 7/20 0.51
GLA P06280 4/20 0.51
GAA P10253 3/20 0.51
XDH P47989 1/20 0.49
CYP11B2 P19099 3/20 0.49
CYP11B1 P15538 2/20 0.49
CYP19A1 P11511 1/20 0.49
IKBKB O14920 1/20 0.47
CYP1A2 P05177 1/20 0.44
CYP2E1 P05181 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL1330306 0.81 CYP11B2 (0.50) KDM4EGLAGAAXDHCYP11B2
SCHEMBL17539135 0.81 CYP11B2 (0.50) AXLMEN1PSIP1MKNK1MKNK2
SCHEMBL8111393 0.80 KDM4E (0.45) MEN1KDM4EXDHCYP1A2CYP3A4
SCHEMBL30533023 0.80 KDM4E (0.53) KDM4EGAAXDHCYP19A1CYP1A2
SCHEMBL22780766 0.80 KDM4E (0.53) KDM4EGAAXDHCYP19A1CYP1A2
SCHEMBL16405695 0.80 AXL (0.61) AXLMEN1PSIP1MKNK1MKNK2
SCHEMBL1329964 0.79 XDH (0.47) KDM4EGLAGAAXDHCYP11B2
SCHEMBL31264147 0.78 ESR2 (0.55) MEN1KDM4EGLAGAACYP11B2
SCHEMBL31038737 0.78 CYP2A6 (0.58) KDM4EGLAGAAXDHCYP11B2
SCHEMBL30630392 0.78 ESR2 (0.55) MEN1KDM4EGLAGAACYP11B2

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 AXL 4094/4885MEN1 4301/4885PSIP1 627/4885
US-20210002269-A1 COMPOUNDS UGT1A1, CYP1A1, CYP19A1 AXL 4434/4885MEN1 192/4885PSIP1 2168/4885

“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.