SCHEMBL6493825

SCHEMBL6493825

CCOc1nc2[nH]ccc2cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 1/20 0.40
PTPRC P08575 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPRB P23467 1/20 0.39
PTPRE P23469 1/20 0.39
PTPN6 P29350 1/20 0.39
CDK8 P49336 6/20 0.38
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 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
SCHEMBL5823323 0.86 NUDT1 (0.54) NUDT1KDM4EALDH1A1HPGDTSHR
SCHEMBL1779836 0.84 POLB (0.49) KDM4EALDH1A1HPGDHSD17B10PTPRC
SCHEMBL31403547 0.84 POLB (0.49) KDM4EALDH1A1HPGDHSD17B10PTPRC
SCHEMBL24005759 0.77 FGFR1 (0.39) NUDT1CDK8LRRK2KDR
SCHEMBL29566015 0.75 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL4793941 0.75 ALDH1A1 (0.50) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL4228872 0.74 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL25613037 0.74 FEN1 (0.39) NUDT1CDK8LRRK2CDK1KDR
SCHEMBL5925880 0.73 PTPRC (0.45) KDM4EALDH1A1HPGDHSD17B10SMN1; SMN2
SCHEMBL27982631 0.73 PTPRC (0.42) KDM4EALDH1A1HPGDHSD17B10TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288299-A1 Azaindole derivatives as inhibitors of p38 kinase SCIOS INC. 2005-12-29 US 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-20050288299-A1 Azaindole derivatives as inhibitors of p38 kinase MAPKAPK2, MAPK1, MAPK3 NUDT1 2183/4885KDM4E 2446/4885ALDH1A1 1498/4885

“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.