SCHEMBL26808579

SCHEMBL26808579

Cc1c(Cl)cccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2ccc(C3CCN(C)CC3)cc2)c1C(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 1/20 0.34
▸ BRD4 O60885 3/20 0.33
▸ KDR P35968 2/20 0.33
▸ BRAF P15056 1/20 0.33
▸ SCN9A Q15858 3/20 0.33
▸ PTK2 Q05397 3/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ LMNA P02545 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ CDK1 P06493 1/20 0.32
▸ CDK4 P11802 1/20 0.32
▸ CCNB1 P14635 1/20 0.32
▸ CCND1 P24385 1/20 0.32
▸ CCNE1 P24864 1/20 0.32
▸ CDK2 P24941 1/20 0.32

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
SCHEMBL26808605 0.94 HTR1A (0.34) WEE1BRD4KDRBRAFSCN9A
SCHEMBL26808557 0.93 KDR (0.34) WEE1BRD4KDRBRAFSCN9A
SCHEMBL26808599 0.93 BRD4 (0.35) BRD4KDRBRAFSCN9APTK2
SCHEMBL26808553 0.92 PTK2 (0.38) WEE1KDRBRAFSCN9APTK2
SCHEMBL24309772 0.90 HTR1A (0.35) BRD4KDRBRAFSCN9APTK2
SCHEMBL26808566 0.89 SCN9A (0.36) BRD4KDRBRAFSCN9APTK2
SCHEMBL26808596 0.89 HTR1A (0.36) KDRBRAFSCN9APTK2HTR1A
SCHEMBL26808563 0.88 BRD4 (0.34) BRD4KDRBRAFSCN9APTK2
SCHEMBL26808555 0.88 SCN9A (0.36) BRD4KDRBRAFSCN9APTK2
SCHEMBL29567192 0.88 BRD4 (0.36) BRD4KDRBRAFSCN9APTK2

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 WEE1 4694/4885BRD4 1716/4885KDR 4439/4885

“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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