SCHEMBL28313352

SCHEMBL28313352

CC(C)c1cc(C(C)C)c(-c2ccccc2P(C(C)(C)C)C(C)(C)C)c(C(C)C)c1.[Pd]

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.34
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
FABP3 P05413 2/20 0.31
FABP4 P15090 2/20 0.31
FABP5 Q01469 1/20 0.30
PDK2 Q15119 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
SCHEMBL29353263 0.98 ROCK2 (0.35) ROCK2GABRA1GABRB2FABP3FABP4
SCHEMBL165778 0.98 ROCK2 (0.35) ROCK2GABRA1GABRB2FABP3FABP4
SCHEMBL19928426 0.93 ROCK2 (0.32) ROCK2
SCHEMBL29912661 0.93 ROCK2 (0.32) ROCK2
SCHEMBL29946397 0.89 FABP3 (0.41) FABP3FABP4FABP5
Trifluoromethanesulfonic Acid SCHEMBL28465642 0.88 FABP3 (0.38) FABP3FABP4FABP5PDK2
Acetonitrile SCHEMBL30092421 0.86
Phenethylamine SCHEMBL21198481 0.85 HTR2A (0.37)
Trifluoromethanesulfonic Acid SCHEMBL28465644 0.85 GPR3 (0.36) FABP3FABP4FABP5
SCHEMBL4003562 0.85 ROCK2 (0.37) ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4658659-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF Children's Hospital Medical Center (US) 2025-12-10 EP disclosed
US-12122788-B2 Process of making CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-10-22 US disclosed
WO-2024163764-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2024-08-08 WO disclosed
EP-4013741-B1 PROCESS OF MAKING CFTR MODULATORS VERTEX PHARMA (US) 2024-04-17 EP disclosed
EP-3532474-B1 4,5-ANNULATED 1,2,4-TRIAZOLONES BAYER AG (DE) 2024-03-27 EP disclosed
US-20230399343-A1 PROCESS OF MAKING CFTR MODULATORS VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-12-14 US disclosed
US-11584761-B2 Process of making CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-02-21 US disclosed
EP-4013741-A1 PROCESS OF MAKING CFTR MODULATORS Vertex Pharmaceuticals Incorporated (US) 2022-06-22 EP 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
CN-110036004-A Inhibitors of cyclin dependent kinase 7(CDK7) 希洛斯医药品股份有限公司 2019-07-19 CN 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 (3 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-20230399343-A1 PROCESS OF MAKING CFTR MODULATORS CFTR, SLC26A4, TMEM109 ROCK2 2917/4885GABRA1 229/4885GABRB2 483/4885
US-11584761-B2 Process of making CFTR modulators CFTR, SLC26A4, TMEM109 ROCK2 2917/4885GABRA1 229/4885GABRB2 483/4885
US-12122788-B2 Process of making CFTR modulators CFTR, SLC26A4, TMEM109 ROCK2 2917/4885GABRA1 229/4885GABRB2 483/4885

“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.