SCHEMBL26810024

SCHEMBL26810024

Cc1cccc(C)c1-c1cc(Oc2ccc(N3CCN(C4CC4)CC3)cc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PDE7B Q9NP56 1/20 0.37
▸ HTR1A P08908 3/20 0.36
▸ HTR7 P34969 3/20 0.36
▸ PDE7A Q13946 1/20 0.36
▸ MAP4K1 Q92918 1/20 0.35
▸ BRD4 O60885 3/20 0.34
▸ MMP2 P08253 2/20 0.33
▸ MMP3 P08254 2/20 0.33
▸ MMP8 P22894 2/20 0.33
▸ MMP13 P45452 2/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ RAD52 P43351 1/20 0.33
▸ EGFR P00533 2/20 0.33
▸ ACVR1 Q04771 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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 0.91 MAP4K1 (0.43) HTR1AHTR7MAP4K1BRD4RAD52
SCHEMBL24310343 0.91 MAP4K1 (0.43) HTR1AHTR7MAP4K1BRD4RAD52
SCHEMBL26812335 0.90 JAK2 (0.36) HTR1AHTR7MAP4K1BRD4EGFR
SCHEMBL29566685 0.90 ALDH1A1 (0.37) MAP4K1BRD4RAD52MAPTSMN1; SMN2
SCHEMBL24310087 0.90 ALDH1A1 (0.37) MAP4K1BRD4RAD52MAPTSMN1; SMN2
SCHEMBL26810055 0.90 ALDH1A1 (0.37) MAP4K1BRD4RAD52MAPTSMN1; SMN2
SCHEMBL26810061 0.89 SMN1; SMN2 (0.34) HTR1AHTR7PDE7AMAP4K1BRD4
SCHEMBL26810039 0.89 CA12 (0.36) HTR7MAP4K1BRD4RAD52MAPT
SCHEMBL26812314 0.89 KMT2A (0.40) PIK3CAMAPTSMN1; SMN2
SCHEMBL26810274 0.88 BRD4 (0.36) HTR1AHTR7MAP4K1BRD4RAD52

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 2 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

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 PDE7B 154/4885HTR1A 4018/4885HTR7 3833/4885

“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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