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SCHEMBL4770176

SCHEMBL4770176

COC(=O)c1cc(C#C[Si](C)(C)C)c(NC(C)=O)nc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.47
▸ ALDH1A1 P00352 6/20 0.45
▸ KDM4E B2RXH2 6/20 0.45
▸ HPGD P15428 4/20 0.45
▸ CRHBP P24387 2/20 0.45
▸ CRHR2 Q13324 2/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.38
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ALOX15 P16050 1/20 0.35

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
SCHEMBL4771954 0.86 GAA (0.43) GAAALDH1A1KDM4EHPGDCRHBP
SCHEMBL4068566 0.80 ALDH1A1 (0.35) ALDH1A1KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL5818365 0.80 KDM4E (0.51) GAAALDH1A1KDM4EHPGDCRHBP
SCHEMBL17221745 0.79 KDM4E (0.50) GAAALDH1A1KDM4EHPGDCRHBP
SCHEMBL4505217 0.78 ALDH1A1 (0.39) GAAALDH1A1KDM4EHPGDCYP2C9
SCHEMBL5818552 0.76 PRKD3 (0.40) GAAALDH1A1KDM4EHPGDCYP3A4
SCHEMBL1961748 0.75 ATM (0.40) GAAALDH1A1KDM4ECYP1A2CYP2C19
SCHEMBL4771913 0.75 GAA (0.43) GAAALDH1A1KDM4EHPGDCRHBP
SCHEMBL4505478 0.74 ALDH1A1 (0.44) GAAALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL18227299 0.74 HTT (0.42) GAAALDH1A1KDM4EHPGDCRHBP

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
US-7393851-B2 Azaindole derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2008-07-01 — — US disclosed
US-7393851-B2 Azaindole derivatives as inhibitors of p38 kinase SCIOS, INC. (US) 2008-07-01 — — US disclosed
EP-1560582-A4 AZAINDOLE DERIVATIVES AS INHIBITORS OF p38 KINASE SCIOS INC (US) 2008-03-12 — — EP disclosed
WO-2006112828-A1 AZAINDOLE DERIVATIVES AS INHIBITORS OF P38 KINASE SCIOS, INC. (US) 2006-10-26 — — WO disclosed
US-20050288299-A1 Azaindole derivatives as inhibitors of p38 kinase SCIOS INC. 2005-12-29 — — US disclosed
EP-1560582-A2 AZAINDOLE DERIVATIVES AS INHIBITORS OF p38 KINASE SCIOS INC. (US) 2005-08-10 — — EP disclosed
US-20040176598-A1 Azaindole derivatives as inhibitors of p38 kinase SCIOS, INC. 2004-09-09 — — US disclosed
WO-2004032874-A2 AZAINDOLE DERIVATIVES AS INHIBITORS OF p38 KINASE SCIOS INC. (US) 2004-04-22 — — 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 (2 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-20050288299-A1 Azaindole derivatives as inhibitors of p38 kinase MAPKAPK2, MAPK1, MAPK3 GAA 4429/4885ALDH1A1 1498/4885KDM4E 2446/4885
US-20040176598-A1 Azaindole derivatives as inhibitors of p38 kinase MAPKAPK2, MAPK1, MAPK4 GAA 4654/4885ALDH1A1 1971/4885KDM4E 2081/4885

“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.