SCHEMBL24309782

SCHEMBL24309782

CCc1c(Oc2ccccc2C)nc(N)nc1-c1ccccc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.47
▸ HEXA P06865 1/20 0.45
▸ HEXB P07686 1/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ DPP4 P27487 1/20 0.41
▸ ADORA1 P30542 3/20 0.40
▸ KDM5A P29375 1/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HSP90AA1 P07900 2/20 0.37
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 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
SCHEMBL24309334 0.81 SMN1; SMN2 (0.46) HEXAHEXBSMN1; SMN2HPGDALDH1A1
SCHEMBL29566842 0.81 SMN1; SMN2 (0.46) HEXAHEXBSMN1; SMN2HPGDALDH1A1
SCHEMBL16966518 0.80 HEXA (0.59) ADORA2AHEXAHEXBDPP4KDM5A
SCHEMBL24309881 0.77 ADORA2A (0.51) ADORA2AHEXAHEXBSMN1; SMN2HPGD
SCHEMBL24287411 0.71 HRH4 (0.51) ADORA2ASMN1; SMN2HPGDALDH1A1CYP1A2
SCHEMBL16462552 0.70 SMN1; SMN2 (0.53) HEXAHEXBSMN1; SMN2HPGDALDH1A1
SCHEMBL24310383 0.70 KDM5A (0.32) KDM5A
SCHEMBL24287258 0.65 ALDH1A1 (0.50) SMN1; SMN2HPGDALDH1A1CYP1A2CYP2C9
Propane SCHEMBL28061941 0.64 TSHR (0.58) SMN1; SMN2HPGDALDH1A1CYP1A2CYP2C9
SCHEMBL24309389 0.64 ADORA2A (0.57) ADORA2AHEXAHEXBDPP4ADORA1

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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