SCHEMBL4478005

SCHEMBL4478005

CC(C)[Si](C(C)C)(C(C)C)n1ccc2cc(F)cnc21

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.34
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
OGA O60502 1/20 0.32
APP P05067 1/20 0.31
CNR2 P34972 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
SCHEMBL417021 0.82 CCR1 (0.40) HTR2AHTR2COGA
SCHEMBL5615371 0.81
SCHEMBL855838 0.81 HPGD (0.36) IRAK4HTR2AHTR2COGA
SCHEMBL413086 0.81 ENPP3 (0.39) HTR2AHTR2CCNR2
SCHEMBL30643452 0.80 KCNH2 (0.35) OGA
SCHEMBL12147023 0.78 PARP1 (0.34) OGA
SCHEMBL29533363 0.78 HTR2C (0.35) HTR2COGA
SCHEMBL5055520 0.77 PTGER4 (0.38)
SCHEMBL24198308 0.77 CNR2 (0.41) IRAK4HTR2AHTR2CAPPCNR2
SCHEMBL15280186 0.75 CCR1 (0.37) OGA

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
CN-110016030-B Preparation method of 5-fluoro-1H-pyrrole- [2,3-b ] pyridine-4-formaldehyde 南京合巨药业有限公司 2021-02-09 CN claimed
US-7514448-B2 Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-07 US disclosed
US-7514448-B2 Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-04-07 US disclosed
CN-101014597-A Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMA (US) 2007-08-08 CN disclosed
WO-2007053094-A1 CHROMAN COMPOUNDS AS 5 -HTlB ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-10 WO disclosed
EP-1756108-A2 AZAINDOLES USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES Vertex Pharmaceuticals Incorporated (US) 2007-02-28 EP disclosed
US-20060003968-A1 Azaindoles useful as inhibitors of rock and other protein kinases VERTEX PHARMACEUTICALS INCORPORATED 2006-01-05 US disclosed
WO-2005103050-A2 AZAINDOLES USEFUL AS INHIBITORS OF ROCK AND OTHER PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-11-03 WO 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-20060003968-A1 Azaindoles useful as inhibitors of rock and other protein kinases ROCK2, ROCK1, TNK2 IRAK4 2040/4885HTR2A 2480/4885HTR2C 2507/4885

“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.