SCHEMBL29639554

SCHEMBL29639554

COc1ccc(OC)c(P(C(C)(C)C)C(C)(C)C)c1-c1c(C(C)C)cc(C(C)C)cc1C(C)C.[Pd]

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
HDAC4 P56524 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TSHR P16473 1/20 0.31
CYP2D6 P10635 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA1A P35348 1/20 0.30

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
SCHEMBL352423 0.99 CA1 (0.38) CA1CA2CA7CA9HDAC4
SCHEMBL29358193 0.99 CA1 (0.38) CA1CA2CA7CA9HDAC4
SCHEMBL19469294 0.95 CA1 (0.36) CA1CA2CA7CA9HDAC4
SCHEMBL28859005 0.91 POLB (0.35) CA1CA2CA7CA9HDAC4
SCHEMBL29355132 0.89 POLB (0.36) CA1CA2CA7CA9HDAC4
SCHEMBL12929986 0.89 POLB (0.36) CA1CA2CA7CA9HDAC4
SCHEMBL30966657 0.88 POLB (0.35) CA1CA2CA7CA9HDAC4
Trifluoromethanesulfonic Acid SCHEMBL30107006 0.87 CA1 (0.36) CA1CA2CA7CA9ALDH1A1
SCHEMBL20346570 0.85 CA1 (0.33) CA1CA2CA7CA9
SCHEMBL28513987 0.81 ALDH1A1 (0.34) CA1CA2CA7CA9ALDH1A1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4547663-A1 IMIDAZO[4,5-C]PYRIDINE DERIVATIVES AS SIK MODULATORS FOR THE TREATMENT OF RHEUMATOID ARTHRITIS F. Hoffmann-La Roche AG (CH) 2025-05-07 EP disclosed
US-20250115607-A1 PYRIDINE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2025-04-10 US disclosed
EP-4509122-A2 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF Bayer Aktiengesellschaft (DE) 2025-02-19 EP disclosed
EP-4188551-B1 ARYL SUBSTITUTED PYRROLO-PYRIDINONES AND THERAPEUTIC USES THEREOF BAYER AG (DE) 2024-12-18 EP disclosed
EP-4188930-B1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND THERAPEUTIC USES THEREOF BAYER AG (DE) 2024-10-23 EP disclosed
EP-3532474-B1 4,5-ANNULATED 1,2,4-TRIAZOLONES BAYER AG (DE) 2024-03-27 EP disclosed
WO-2024003209-A1 IMIDAZO[4,5-C]PYRIDINE DERIVATIVES AS SIK MODULATORS FOR THE TREATMENT OF RHEUMATOID ARTHRITIS F. HOFFMANN-LA ROCHE AG (CH) 2024-01-04 WO disclosed
EP-3532468-B1 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH BAYER AG (DE) 2022-03-23 EP 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-20250115607-A1 PYRIDINE DERIVATIVES ADORA1, CYP1A1, MT-ND1 CA1 3526/4885CA2 2995/4885CA7 3331/4885

“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.