SCHEMBL5101931

SCHEMBL5101931

COc1cc2cnccc2nc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.42
PDGFRB P09619 2/20 0.41
PDGFRA P16234 2/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CDK9 P50750 1/20 0.39
DYRK1A Q13627 1/20 0.39
CYP3A4 P08684 5/20 0.38
KDM4C Q9H3R0 2/20 0.38
ECE1 P42892 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL60866 0.80 KDM4E (0.56) PDGFRBPDGFRAKDM4EALDH1A1HPGD
SCHEMBL31645245 0.78 IKBKB (0.49) ALDH1A1SMN1; SMN2CYP3A4KDM4C
SCHEMBL28247144 0.76 ALDH1A1 (0.40) KDM4EALDH1A1MAPTSMN1; SMN2KDM4C
SCHEMBL5096070 0.76 ALDH1A1 (0.40) KDM4EALDH1A1MAPTSMN1; SMN2CDK9
SCHEMBL5096004 0.76 ALDH1A1 (0.40) KDM4EALDH1A1MAPTSMN1; SMN2CDK9
SCHEMBL18285376 0.76 TDP1 (0.47) KDM4EALDH1A1HPGDNPC1MAPT
SCHEMBL29574749 0.73 PDE5A (0.49) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL22717545 0.73 PDE5A (0.49) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL5102002 0.73 ALOX15 (0.66) MAOAKDM4EALDH1A1ALOX15ECE1
SCHEMBL9318744 0.71 NQO2 (0.50) PDGFRBPDGFRAKDM4EALDH1A1HPGD

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-20080207677-A1 Napthyridine Compounds As Rock Inhibitors GPC BIOTECH AG (DE) 2008-08-28 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-20080207677-A1 Napthyridine Compounds As Rock Inhibitors ROCK2, ROCK1, RHOT2 MAOA 1659/4885PDGFRB 3216/4885PDGFRA 3736/4885

“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.