SCHEMBL20409462

SCHEMBL20409462

Nc1ccc(-c2cccnc2)cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.58
MKNK2 Q9HBH9 2/20 0.58
MEN1 O00255 1/20 0.58
PSIP1 O75475 1/20 0.58
AXL P30530 1/20 0.58
CYP2A6 P11509 3/20 0.54
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP11B1 P15538 5/20 0.51
CYP11B2 P19099 5/20 0.51
CYP19A1 P11511 2/20 0.51
CYP17A1 P05093 1/20 0.51
ABCB1 P08183 2/20 0.50
PIK3CD O00329 1/20 0.49
PIP5K1C O60331 1/20 0.49
PIK3CA P42336 1/20 0.49
PI4KA P42356 1/20 0.49
PI4KB Q9UBF8 1/20 0.49
ERN1 O75460 1/20 0.48

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
SCHEMBL31403147 0.83 NPY5R (0.62) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL18876407 0.83 NPY5R (0.62) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL77876 0.83 MKNK1 (0.63) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL30516501 0.83 MKNK1 (0.63) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL22497670 0.80 MKNK1 (0.65) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL19826263 0.79 CYP2A6 (0.54) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL12326414 0.79 CYP2A6 (0.54) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL12260537 0.79 CYP2A6 (0.54) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL12491570 0.79 MKNK1 (0.60) MKNK1MKNK2MEN1PSIP1AXL
SCHEMBL11371958 0.79 MKNK1 (0.62) MKNK1MKNK2MEN1PSIP1AXL

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 13 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
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-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-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-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
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
WO-2018136202-A2 COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR PLEXXIKON INC. (US) 2018-07-26 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 (4 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 MKNK1 2421/4885MKNK2 2359/4885MEN1 4301/4885
US-20210024507-A1 Compounds CYP1A1, UGT1A1, CYP1A2 MKNK1 2655/4885MKNK2 2513/4885MEN1 320/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 MKNK1 2655/4885MKNK2 2513/4885MEN1 320/4885
US-20210002269-A1 COMPOUNDS UGT1A1, CYP1A1, CYP19A1 MKNK1 2645/4885MKNK2 2416/4885MEN1 192/4885

“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.