SCHEMBL24287270

SCHEMBL24287270

Cc1ccccc1Oc1nc(N)nc2c1CC(C)(C)CC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 10/20 0.41
▸ BCHE P06276 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ AKT1 P31749 1/20 0.35
▸ PIK3CA P42336 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PARP1 P09874 1/20 0.34
▸ TNKS2 Q9H2K2 1/20 0.34
▸ PARP2 Q9UGN5 1/20 0.34
▸ HTR1A P08908 1/20 0.34

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
SCHEMBL24287272 0.93 ACHE (0.41) ACHEBCHESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL24287267 0.87 TP53 (0.40) ACHEBCHESMN1; SMN2ALDH1A1HPGD
SCHEMBL26813085 0.83 ACHE (0.35) ACHEBCHESMN1; SMN2ALDH1A1HPGD
SCHEMBL24287332 0.76 ACHE (0.42) ACHEBCHESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL29516197 0.76 ACHE (0.42) ACHEBCHESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL26813087 0.76 ACHE (0.35) ACHEBCHESMN1; SMN2ALDH1A1HPGD
SCHEMBL24287264 0.75 ACHE (0.41) ACHEBCHESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL24287269 0.72 ACHE (0.30) ACHE
SCHEMBL9287302 0.72 KDM4E (0.55) ACHEALDH1A1CYP1A2HPGDCYP2C19
SCHEMBL26813338 0.71 HTR1A (0.36) ACHEALDH1A1HPGDMTORMEN1

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
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
EP-4225750-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076629-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO 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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