SCHEMBL24287272

SCHEMBL24287272

Cc1ccccc1Oc1nc(N)nc2c1CCC(C)(C)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 6/20 0.41
▸ BCHE P06276 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ AKT1 P31749 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TUBB3 Q13509 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAP4K4 O95819 1/20 0.33
▸ EEF2K O00418 1/20 0.33

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
SCHEMBL24287270 0.93 ACHE (0.41) ACHEBCHESMN1; SMN2HPGDALDH1A1
SCHEMBL26813087 0.83 ACHE (0.35) ACHEBCHESMN1; SMN2HPGDALDH1A1
SCHEMBL24287267 0.80 TP53 (0.40) ACHEBCHESMN1; SMN2HPGDALDH1A1
SCHEMBL24287332 0.76 ACHE (0.42) ACHEBCHESMN1; SMN2HPGDALDH1A1
SCHEMBL29516197 0.76 ACHE (0.42) ACHEBCHESMN1; SMN2HPGDALDH1A1
SCHEMBL26813085 0.76 ACHE (0.35) ACHEBCHESMN1; SMN2HPGDALDH1A1
SCHEMBL24287264 0.75 ACHE (0.41) ACHEBCHESMN1; SMN2HPGDALDH1A1
SCHEMBL24287273 0.71 HTR1A (0.36) ACHEHPGDALDH1A1MEN1KMT2A
SCHEMBL24287411 0.68 HRH4 (0.51) ACHEBCHESMN1; SMN2HPGDALDH1A1
SCHEMBL10351209 0.68 ACHE (0.48) ACHEBCHESMN1; SMN2HPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
WO-2022076629-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — 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 (1 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-20230373974-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B ACHE 4824/4885BCHE 4419/4885SMN1; SMN2 4844/4885

“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.

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