SCHEMBL26810183

SCHEMBL26810183

CCCNC(=O)c1ccc(Oc2cc(-c3c(C)cccc3C)nc(NS(=O)(=O)c3cnn(C)c3)n2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 2/20 0.37
▸ BRD4 O60885 2/20 0.37
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ EGFR P00533 3/20 0.36
▸ FGFR1 P11362 3/20 0.36
▸ KDR P35968 3/20 0.36
▸ IGF1R P08069 1/20 0.35
▸ SRC P12931 2/20 0.35
▸ PTGDR Q13258 2/20 0.35
▸ PTGDR2 Q9Y5Y4 2/20 0.35
▸ ROCK2 O75116 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ATM Q13315 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
SCHEMBL24309566 0.94 HCK (0.37) BRD4NR1H2NR1H3ALPLEGFR
SCHEMBL29567068 0.94 HCK (0.37) BRD4NR1H2NR1H3ALPLEGFR
SCHEMBL26810181 0.94 BRD4 (0.39) BRD4EGFRFGFR1KDRPTGDR2
SCHEMBL26812018 0.93 PTK2 (0.39) CCR2BRD4EGFRFGFR1KDR
SCHEMBL29566721 0.93 PTK2 (0.39) CCR2BRD4EGFRFGFR1KDR
SCHEMBL26810269 0.91 TP53 (0.38) CCR2NR1H2NR1H3ALPLEGFR
SCHEMBL29566952 0.91 FGFR1 (0.38) CCR2BRD4EGFRFGFR1KDR
SCHEMBL24310553 0.91 FGFR1 (0.38) CCR2BRD4EGFRFGFR1KDR
SCHEMBL26810180 0.90 BRD4 (0.37) CCR2BRD4EGFRFGFR1KDR
SCHEMBL29566567 0.89 BRD4 (0.38) BRD4EGFRFGFR1KDR

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 CCR2 2427/4885BRD4 1716/4885NR1H2 700/4885

“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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