SCHEMBL26810265

SCHEMBL26810265

Cc1cccc(C)c1-c1cc(Oc2ccc(C(=O)N(C)CC(C)C)cc2)nc(NS(=O)(=O)c2cnn(C)c2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.35
▸ LIMK2 P53671 4/20 0.33
▸ HTR1A P08908 1/20 0.32
▸ HTR7 P34969 1/20 0.32
▸ AURKA O14965 2/20 0.32
▸ AURKB Q96GD4 2/20 0.32
▸ GAA P10253 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ EGFR P00533 3/20 0.32
▸ FGFR1 P11362 3/20 0.32
▸ KDR P35968 3/20 0.32
▸ LIMK1 P53667 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ LPAR1 Q92633 1/20 0.32
▸ LPAR5 Q9H1C0 1/20 0.32
▸ MCL1 Q07820 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ TSHR P16473 1/20 0.31

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
SCHEMBL24310203 0.88 MEN1 (0.38) NAMPTLIMK2AURKAAURKBEGFR
SCHEMBL29566838 0.86 GFER (0.39) HTR1AHTR7AURKAAURKBEGFR
SCHEMBL24310039 0.86 GFER (0.39) HTR1AHTR7AURKAAURKBEGFR
SCHEMBL24310100 0.86 USP2 (0.39) NAMPTAURKAAURKBEGFRFGFR1
SCHEMBL26810272 0.85 EGFR (0.38) AURKAAURKBEGFRFGFR1KDR
SCHEMBL26810119 0.84 HTR1A (0.33) HTR1AHTR7EGFRFGFR1KDR
SCHEMBL26810270 0.83 AURKA (0.37) AURKAAURKBEGFRFGFR1KDR
SCHEMBL26856788 0.83 HTR1A (0.34) NAMPTHTR1AHTR7EGFRFGFR1
SCHEMBL26810238 0.83 SMN1; SMN2 (0.38) HTR1AHTR7ALDH1A1LMNATSHR
SCHEMBL24310345 0.83 TSHR (0.43) HTR1AHTR7GAAEGFRFGFR1

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 NAMPT 1836/4885LIMK2 3726/4885HTR1A 4018/4885

“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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