SCHEMBL4771913

SCHEMBL4771913

COC(=O)c1cc(I)c(NC(C)=O)nc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALOX15 P16050 1/20 0.40
NQO2 P16083 1/20 0.39
CFTR P13569 1/20 0.38
CDK1 P06493 1/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL4792319 0.76 NQO2 (0.48) GAALMNAHPGDALDH1A1KDM4E
SCHEMBL4770176 0.75 GAA (0.47) GAALMNAHPGDALDH1A1KDM4E
SCHEMBL30531213 0.75 SMN1; SMN2 (0.73) GAALMNAHPGDALDH1A1KDM4E
SCHEMBL28596962 0.75 SMN1; SMN2 (0.73) GAALMNAHPGDALDH1A1KDM4E
SCHEMBL4174949 0.74 SMN1; SMN2 (0.58) GAALMNAHPGDALDH1A1KDM4E
SCHEMBL3972158 0.72 ALDH1A1 (0.45) HPGDALDH1A1KDM4ESMN1; SMN2CYP2C9
SCHEMBL12021198 0.72 ALDH1A1 (0.43) GAALMNAHPGDALDH1A1KDM4E
SCHEMBL14666358 0.70 CFTR (0.53) GAALMNAHPGDALDH1A1KDM4E
SCHEMBL15903170 0.70 CFTR (0.53) GAALMNAHPGDALDH1A1KDM4E
SCHEMBL28354652 0.70 SMN1; SMN2 (0.47) HPGDALDH1A1KDM4ESMN1; SMN2CYP1A2

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 7 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
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
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 (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-20040176598-A1 Azaindole derivatives as inhibitors of p38 kinase MAPKAPK2, MAPK1, MAPK4 GAA 4654/4885LMNA 3671/4885HPGD 1828/4885

“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.