SCHEMBL24309596

SCHEMBL24309596

Nc1nc(C2(c3ccccc3)CC2)cc(=O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 6/20 0.50
▸ BACE1 P56817 2/20 0.46
▸ CYP3A4 P08684 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ DAO P14920 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ PIM1 P11309 1/20 0.38
▸ PIM2 Q9P1W9 1/20 0.38
▸ QTRT1 Q9BXR0 1/20 0.38
▸ MAPT P10636 1/20 0.37
▸ S1PR1 P21453 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ RIN1 Q13671 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL2724248 0.69 HSP90AA1 (0.47) BACE1KMT2AMEN1MAPTS1PR1
SCHEMBL2403432 0.67 XDH (1.00) XDHBACE1
SCHEMBL24309458 0.67 CYP3A4 (0.52) XDHBACE1CYP3A4BLMKMT2A
SCHEMBL13711108 0.66 XDH (0.53) XDHBACE1CYP3A4BLMKMT2A
SCHEMBL8279670 0.65 BACE1 (0.63) BACE1CYP3A4KMT2AMEN1MAPT
SCHEMBL14719485 0.65 DAO (0.45) DAOKMT2AMEN1CYP2C9PIM1
SCHEMBL2372875 0.64 NCOA1 (0.50) S1PR1POLB
SCHEMBL2725587 0.64 KDM4E (0.45) BACE1KMT2AMEN1
SCHEMBL7036447 0.64 KMT2A (0.64) XDHBACE1CYP3A4BLMKMT2A
SCHEMBL5907152 0.64 BACE1 (0.74) XDHBACE1CYP3A4BLMKMT2A

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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
EP-4225748-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 — — EP disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed
WO-2022076627-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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B XDH 2206/4885BACE1 4582/4885CYP3A4 3859/4885

“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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