SCHEMBL26807632

SCHEMBL26807632

CNC(=O)c1ccc(Oc2cc(C3CCCC3)nc(NS(=O)(=O)c3cnn(C)c3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.40
▸ EGFR P00533 2/20 0.37
▸ FGFR1 P11362 2/20 0.37
▸ KDR P35968 2/20 0.37
▸ HPGD P15428 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ AURKA O14965 2/20 0.35
▸ AURKB Q96GD4 2/20 0.35
▸ NLRP3 Q96P20 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ AXL P30530 1/20 0.35
▸ TYRO3 Q06418 1/20 0.35
▸ MERTK Q12866 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MET P08581 1/20 0.34
▸ MAT2A P31153 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
SCHEMBL26807631 0.99 HRH3 (0.39) HRH3EGFRFGFR1KDRHPGD
SCHEMBL26807634 0.91 F2 (0.41) HRH3EGFRFGFR1KDRHPGD
SCHEMBL26807629 0.90 F2 (0.40) HRH3EGFRFGFR1KDRHPGD
SCHEMBL26807622 0.89 HRH3 (0.43) HRH3NLRP3JAK1MAT2A
SCHEMBL26807733 0.88 HRH3 (0.42) HRH3KDRNLRP3JAK1MET
SCHEMBL26807616 0.88 HRH3 (0.36) HRH3EGFRFGFR1KDRAURKA
SCHEMBL26810538 0.87 EGFR (0.36) HRH3EGFRFGFR1KDRHPGD
SCHEMBL26807484 0.86 HTR1A (0.43) EGFRFGFR1KDRHPGDTSHR
SCHEMBL29566649 0.86 HTR1A (0.42) EGFRFGFR1KDRHPGDTSHR
SCHEMBL26807354 0.86 HTR1A (0.42) EGFRFGFR1KDRHPGDTSHR

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 HRH3 4413/4885EGFR 818/4885FGFR1 2391/4885

“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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