SCHEMBL26808278

SCHEMBL26808278

Cc1cccc(C)c1-c1cc(Oc2ccc(N3CCNCC3)cc2Cl)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.38
▸ NMT1 P30419 2/20 0.37
▸ HTR6 P50406 10/20 0.37
▸ GUSB P08236 4/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ HTR2C P28335 1/20 0.35
▸ HTR7 P34969 1/20 0.35
▸ HTR2B P41595 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ ALK Q9UM73 1/20 0.34

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
SCHEMBL29566922 1.00 EGFR (0.38) EGFRNMT1HTR6GUSBHTR1A
SCHEMBL24310372 0.93 HTR6 (0.37) EGFRHTR6GUSBLCK
SCHEMBL29567188 0.93 HTR6 (0.37) EGFRHTR6GUSBLCK
SCHEMBL24310583 0.88 RIPK2 (0.38) HTR6GUSBLCK
SCHEMBL26858387 0.88 GUSB (0.42) HTR6GUSB
SCHEMBL29566942 0.86 BRD4 (0.40) EGFRHTR6HTR1AHTR2CHTR7
SCHEMBL26809802 0.86 BRD4 (0.40) EGFRHTR6HTR1AHTR2CHTR7
SCHEMBL29567043 0.85 HTR6 (0.37) NMT1HTR6GUSBHTR1AHTR2C
SCHEMBL26837336 0.85 HTR6 (0.37) NMT1HTR6GUSBHTR1AHTR2C
SCHEMBL26809994 0.85 GUSB (0.36) HTR6GUSBLCK

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 EGFR 818/4885NMT1 266/4885HTR6 2653/4885

“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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