SCHEMBL24309881

SCHEMBL24309881

CCc1c(Cl)nc(N)nc1-c1ccccc1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.51
▸ HEXA P06865 1/20 0.49
▸ HEXB P07686 1/20 0.49
▸ DPP4 P27487 3/20 0.45
▸ KDM5A P29375 1/20 0.42
▸ DHFR P00374 3/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ADORA1 P30542 3/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ LMNA P02545 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ IKBKB O14920 1/20 0.35

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
SCHEMBL24331481 0.84 HEXA (0.41) ADORA2AHEXAHEXBDHFRHSP90AA1
SCHEMBL16966518 0.84 HEXA (0.59) ADORA2AHEXAHEXBDPP4KDM5A
SCHEMBL29515334 0.84 HEXA (0.41) ADORA2AHEXAHEXBDHFRHSP90AA1
SCHEMBL24309389 0.81 ADORA2A (0.57) ADORA2AHEXAHEXBDPP4DHFR
SCHEMBL11154581 0.81 ADORA2A (0.47) ADORA2AHEXAHEXBDHFRHSP90AA1
SCHEMBL24309782 0.77 ADORA2A (0.47) ADORA2AHEXAHEXBDPP4KDM5A
SCHEMBL24309380 0.76 ADORA2A (0.51) ADORA2AHEXAHEXBDPP4DHFR
SCHEMBL29566842 0.74 SMN1; SMN2 (0.46) HEXAHEXBDHFRHSP90AA1KDM4E
SCHEMBL24309334 0.74 SMN1; SMN2 (0.46) HEXAHEXBDHFRHSP90AA1KDM4E
SCHEMBL12495474 0.72 SMN1; SMN2 (0.46) ADORA2AHEXAHEXBDPP4DHFR

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 1622/4885HEXA 1673/4885HEXB 1248/4885

“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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