SCHEMBL21044075

SCHEMBL21044075

Cc1cc(-c2cncc(C#N)n2)ccc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 11/20 0.56
CYP11B1 P15538 10/20 0.56
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
APP P05067 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37
CTSK P43235 1/20 0.35
PIM1 P11309 1/20 0.35
PIM3 Q86V86 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35

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
SCHEMBL22869136 0.82 CYP11B2 (0.72) CYP11B2CYP11B1IRAK4
SCHEMBL25524170 0.80 ALDH1A1 (0.53) CYP11B2CYP11B1ALDH1A1CYP3A4TSHR
SCHEMBL21044154 0.78 CYP11B2 (0.56) CYP11B2CYP11B1ALDH1A1IRAK4NPC1
SCHEMBL21044342 0.77 ALDH1A1 (0.50) CYP11B2CYP11B1ALDH1A1CYP3A4TSHR
SCHEMBL28145764 0.76 CYP11B1 (0.55) CYP11B2CYP11B1ALDH1A1TSHRIRAK4
SCHEMBL21044544 0.74 CYP11B2 (0.52) CYP11B2CYP11B1ALDH1A1IRAK4NPC1
SCHEMBL25187167 0.73 CYP11B1 (0.56) CYP11B2CYP11B1ALDH1A1TSHRNPC1
SCHEMBL21373832 0.73 ALDH1A1 (0.46) CYP11B2CYP11B1ALDH1A1CYP3A4TSHR
SCHEMBL30336589 0.73 CYP11B1 (0.56) CYP11B2CYP11B1ALDH1A1TSHRNPC1
SCHEMBL20460012 0.72 CYP11B2 (1.00) CYP11B2CYP11B1

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 1418/4885ALDH1A1 3425/4885
US-20210002269-A1 COMPOUNDS UGT1A1, CYP1A1, CYP19A1 CYP11B2 6/4885CYP11B1 5/4885ALDH1A1 181/4885

“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.