SCHEMBL26806579

SCHEMBL26806579

Cc1cccc(C)c1-c1cc(N(c2ccccc2)c2ccccc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.38
▸ EGFR P00533 2/20 0.37
▸ FGFR1 P11362 2/20 0.37
▸ KDR P35968 2/20 0.37
▸ MAPT P10636 3/20 0.36
▸ GAA P10253 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ MTOR P42345 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ HTR1A P08908 4/20 0.35
▸ HTR7 P34969 4/20 0.35
▸ NLRP3 Q96P20 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PDPK1 O15530 1/20 0.34
▸ JAK3 P52333 1/20 0.33
▸ LMNA P02545 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
SCHEMBL26806583 0.91 PDPK1 (0.40) TSHREGFRFGFR1KDRMAPT
SCHEMBL26806586 0.82 TSHR (0.42) TSHREGFRFGFR1KDRMAPT
SCHEMBL24309239 0.82 CCNT1 (0.40) TSHREGFRFGFR1KDRMAPT
SCHEMBL26651235 0.82 PIK3CG (0.38) TSHREGFRFGFR1KDRMAPT
SCHEMBL29567131 0.82 PIK3CG (0.38) TSHREGFRFGFR1KDRMAPT
SCHEMBL29566612 0.82 TSHR (0.43) TSHREGFRFGFR1KDRMAPT
SCHEMBL26806584 0.82 EGFR (0.41) TSHREGFRFGFR1KDRMAPT
SCHEMBL24310345 0.82 TSHR (0.43) TSHREGFRFGFR1KDRMAPT
SCHEMBL24309349 0.81 PIK3CG (0.42) TSHREGFRFGFR1KDRMAPT
SCHEMBL26806587 0.81 TSHR (0.40) TSHREGFRFGFR1KDRMAPT

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 TSHR 1755/4885EGFR 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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