SCHEMBL24309380

SCHEMBL24309380

COc1c(Cl)nc(N)nc1-c1ccccc1C

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 7/20 0.51
▸ ADORA1 P30542 5/20 0.43
▸ HSP90AA1 P07900 7/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ HEXA P06865 1/20 0.39
▸ HEXB P07686 1/20 0.39
▸ DHFR P00374 1/20 0.38
▸ DHPS P49366 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ DPP4 P27487 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
SCHEMBL29515175 0.84 HSP90AA1 (0.45) ADORA2AADORA1HSP90AA1HSP90AB1DHPS
SCHEMBL24331124 0.84 HSP90AA1 (0.45) ADORA2AADORA1HSP90AA1HSP90AB1DHPS
SCHEMBL24309389 0.81 ADORA2A (0.57) ADORA2AADORA1HSP90AA1HEXAHEXB
SCHEMBL24309881 0.76 ADORA2A (0.51) ADORA2AADORA1HSP90AA1HEXAHEXB
SCHEMBL7171408 0.72 NPSR1 (0.40) ADORA2AADORA1HSP90AA1HSP90AB1NPSR1
SCHEMBL23162599 0.72 ADORA2A (0.49) ADORA2AADORA1DHFRMEN1USP2
SCHEMBL3425059 0.70 ADORA2A (0.56) ADORA2AADORA1HSP90AA1HEXAHEXB
SCHEMBL7799233 0.70 ADORA2A (0.62) ADORA2AADORA1HSP90AA1HSP90AB1DHFR
SCHEMBL544545 0.70 CTSA (0.42) ADORA2AALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL20219426 0.69 NPSR1 (0.46) HSP90AA1HSP90AB1DHFRNPSR1ALDH1A1

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-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
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 ADORA2A 1622/4885ADORA1 1287/4885HSP90AA1 1490/4885

“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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