SCHEMBL26808605

SCHEMBL26808605

CN1CCC(c2ccc(Oc3nc(NS(=O)(=O)c4cnn(C)c4)nc(-c4ccccc4Cl)c3C(F)(F)F)cc2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 4/20 0.34
▸ HTR7 P34969 4/20 0.34
▸ EGFR P00533 2/20 0.34
▸ BRAF P15056 1/20 0.34
▸ KDR P35968 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ XBP1 P17861 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ WEE1 P30291 1/20 0.34
▸ SLC8A1 P32418 1/20 0.33
▸ CCNT1 O60563 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CDK4 P11802 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCND1 P24385 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
SCHEMBL26808557 0.94 KDR (0.34) HTR1AHTR7EGFRBRAFKDR
SCHEMBL26808579 0.94 WEE1 (0.34) HTR1AHTR7EGFRBRAFKDR
SCHEMBL26808553 0.92 PTK2 (0.38) HTR1AHTR7EGFRBRAFKDR
SCHEMBL24309772 0.92 HTR1A (0.35) HTR1AHTR7BRAFKDRSLC8A1
SCHEMBL26808596 0.92 HTR1A (0.36) HTR1AHTR7BRAFKDRSLC8A1
SCHEMBL26808566 0.91 SCN9A (0.36) HTR1AHTR7BRAFKDRSLC8A1
SCHEMBL29566359 0.90 HTR1A (0.39) HTR1AHTR7BRAFKDRSLC8A1
SCHEMBL26808555 0.90 SCN9A (0.36) HTR1AHTR7BRAFKDRSLC8A1
SCHEMBL24310415 0.90 HTR1A (0.39) HTR1AHTR7BRAFKDRSLC8A1
SCHEMBL26808560 0.90 PTK2 (0.34) HTR1AHTR7BRAFKDRSLC8A1

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 HTR1A 4018/4885HTR7 3833/4885EGFR 818/4885

“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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