SCHEMBL21044202

SCHEMBL21044202

Nc1ccc(-c2cncc(F)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.53
CYP11B2 P19099 7/20 0.50
CYP11B1 P15538 5/20 0.50
ALDH1A1 P00352 2/20 0.46
TP53 P04637 2/20 0.46
CYP3A4 P08684 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
PRKCZ Q05513 1/20 0.43
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CHRNB4 P30926 1/20 0.41

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
SCHEMBL11154615 0.84 CYP3A4 (0.58) TAAR1CYP11B2CYP11B1ALDH1A1TP53
SCHEMBL17952752 0.82 CYP11B2 (0.53) CYP11B2CYP11B1CYP3A4PRMT5WDR77
SCHEMBL27898901 0.79 CYP11B2 (0.56) TAAR1CYP11B2CYP11B1CHRNB4CHRNA3
SCHEMBL12947928 0.79 CYP11B2 (0.50) CYP11B2CYP11B1CHRNB4CHRNA3
SCHEMBL968892 0.79 CYP11B2 (0.54) CYP11B2CYP11B1ALDH1A1PRMT5WDR77
SCHEMBL16826172 0.79 PIK3CD (0.51) CYP11B2CYP11B1
SCHEMBL21044319 0.79 CYP11B2 (0.58) CYP11B2CYP11B1ALDH1A1PRMT5WDR77
SCHEMBL26923563 0.79 MEN1 (0.59) TAAR1CYP11B2CYP11B1CYP3A4MEN1
SCHEMBL12920022 0.79 CYP11B2 (0.46) CYP11B2CYP11B1CYP3A4
SCHEMBL24408437 0.78 CYP11B2 (0.50) CYP11B2CYP11B1CHRNB4CHRNA3BACE1

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 14 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
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 (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 TAAR1 3258/4885CYP11B2 1869/4885CYP11B1 1418/4885
US-20210024507-A1 Compounds CYP1A1, UGT1A1, CYP1A2 TAAR1 2189/4885CYP11B2 9/4885CYP11B1 10/4885
US-20230192673-A1 Compounds CYP1A1, UGT1A1, CYP1A2 TAAR1 2189/4885CYP11B2 9/4885CYP11B1 10/4885
US-20210002269-A1 COMPOUNDS UGT1A1, CYP1A1, CYP19A1 TAAR1 2310/4885CYP11B2 6/4885CYP11B1 5/4885

“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.