SCHEMBL24310343

SCHEMBL24310343

Cc1cccc(C)c1-c1cc(Oc2ccc(N3CCN(C)CC3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K1 Q92918 3/20 0.43
▸ BRD4 O60885 12/20 0.41
▸ RAD52 P43351 2/20 0.41
▸ HTR1A P08908 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ HTR6 P50406 1/20 0.38
▸ JAK2 O60674 2/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ BUB1B O60566 1/20 0.38
▸ RET P07949 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ BRD2 P25440 1/20 0.38
▸ WEE1 P30291 1/20 0.38
▸ FLT3 P36888 1/20 0.38
▸ BRD3 Q15059 1/20 0.38
▸ BRDT Q58F21 1/20 0.38
▸ ALK Q9UM73 1/20 0.38

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
SCHEMBL29567227 1.00 MAP4K1 (0.43) MAP4K1BRD4RAD52HTR1AHTR2A
SCHEMBL26810000 0.97 MAP4K1 (0.41) MAP4K1BRD4RAD52HTR1AHTR2A
SCHEMBL29566685 0.93 ALDH1A1 (0.37) MAP4K1BRD4RAD52
SCHEMBL24310087 0.93 ALDH1A1 (0.37) MAP4K1BRD4RAD52
SCHEMBL26810055 0.93 ALDH1A1 (0.37) MAP4K1BRD4RAD52
SCHEMBL24310014 0.93 HTR1A (0.42) MAP4K1BRD4RAD52HTR1AHTR2A
SCHEMBL26810039 0.93 CA12 (0.36) MAP4K1BRD4RAD52HTR7JAK3
SCHEMBL26812314 0.92 KMT2A (0.40) —
SCHEMBL26810034 0.92 MAP4K1 (0.35) MAP4K1BRD4RAD52HTR1AHTR2A
SCHEMBL26810036 0.92 BRD4 (0.36) MAP4K1BRD4RAD52HTR1AHTR7

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 MAP4K1 3678/4885BRD4 1716/4885RAD52 4705/4885

“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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