SCHEMBL8021391

SCHEMBL8021391

Cc1csc(-c2ccc(CO)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.49
CYP2E1 P05181 1/20 0.49
CYP2A6 P11509 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2B6 P20813 1/20 0.49
AOC3 Q16853 2/20 0.48
ALDH1A1 P00352 3/20 0.44
PPARA Q07869 2/20 0.43
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
POLB P06746 2/20 0.42
GAA P10253 1/20 0.42
PDE10A Q9Y233 1/20 0.42
KDM4E B2RXH2 3/20 0.41
SREBF2 Q12772 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PKM P14618 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
GFER P55789 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
SCHEMBL8198560 0.86 CYP3A4 (0.60) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL7905176 0.84 CYP3A4 (0.58) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL23328877 0.83 RAB9A (0.60) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL21873479 0.81 RAB9A (0.54) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL3182382 0.81 KDM4E (0.54) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL12180534 0.80 RAB9A (0.59) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL13680749 0.80 ALDH1A1 (0.46) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL18725058 0.79 CYP3A4 (0.53) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL14438067 0.77 CYP3A4 (0.61) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6
SCHEMBL23367838 0.77 RAB9A (0.56) CYP3A4CYP2E1CYP2A6CYP2C9CYP2B6

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12378256-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-08-05 US disclosed
EP-3643718-B1 HETEROCYCLIC COMPOUND AND ITS USE AS POSITIVE ALLOSTERIC MODULATOR OF THE CHOLINERGIC MUSCARINIC M1 RECEPTOR. TAKEDA PHARMACEUTICALS CO (JP) 2023-07-26 EP disclosed
CN-110709401-B Heterocyclic compounds 武田药品工业株式会社 2023-06-13 CN disclosed
US-11236099-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-02-01 US disclosed
US-20220017530-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2022-01-20 US disclosed
US-20210139491-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-05-13 US disclosed
EP-3643718-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-04-29 EP disclosed
CN-110709401-A Heterocyclic compounds 武田药品工业株式会社 2020-01-17 CN disclosed
WO-2009071504-A1 2,6-DISUBSTITUTED PYRIDINES AS SOLUBLE GUANYLATE CYCLASE ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2009-06-11 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-20220017530-A1 HETEROCYCLIC COMPOUND SLC10A2, ALPI, VIP CYP3A4 912/4885CYP2E1 936/4885CYP2A6 642/4885
US-12378256-B2 Heterocyclic compound SLC10A2, ALPI, VIP CYP3A4 912/4885CYP2E1 936/4885CYP2A6 642/4885
US-20210139491-A1 HETEROCYCLIC COMPOUND SLC10A2, ALPI, VIP CYP3A4 912/4885CYP2E1 936/4885CYP2A6 642/4885
US-11236099-B2 Heterocyclic compound SLC10A2, ALPI, VIP CYP3A4 912/4885CYP2E1 936/4885CYP2A6 642/4885

“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.