SCHEMBL5780987

SCHEMBL5780987

CCOC(=O)c1cn(-c2ccncc2)c(-c2ccccc2)n1

nearest known ligand 0.85

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 15/20 0.85
GABRB2 P47870 15/20 0.85
MLYCD O95822 1/20 0.66
PTGS2 P35354 1/20 0.56
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CDC7 O00311 1/20 0.48
DBF4 Q9UBU7 1/20 0.48
NTSR1 P30989 1/20 0.47

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
SCHEMBL23027867 0.92 GABRA2 (1.00) GABRA2GABRB2MLYCDPTGS2
SCHEMBL5783286 0.90 GABRA2 (0.80) GABRA2GABRB2MLYCDPTGS2
SCHEMBL13437647 0.90 GABRA2 (0.95) GABRA2GABRB2MLYCDPTGS2
SCHEMBL5783585 0.89 GABRA2 (0.83) GABRA2GABRB2MLYCDPTGS2
SCHEMBL13437658 0.86 GABRA2 (0.83) GABRA2GABRB2MLYCDPTGS2
SCHEMBL13437646 0.84 GABRA2 (0.83) GABRA2GABRB2MLYCDPTGS2
SCHEMBL5782234 0.83 GABRA2 (0.57) GABRA2GABRB2MLYCDPTGS2NTSR1
SCHEMBL15997584 0.82 GABRA2 (0.76) GABRA2GABRB2MLYCDPTGS2
SCHEMBL1438305 0.82 GABRA2 (1.00) GABRA2GABRB2PTGS2
SCHEMBL26986734 0.81 GABRA2 (0.71) GABRA2GABRB2MLYCDPTGS2NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060189591-A1 Five-membered heterocyclic derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-08-24 US disclosed
EP-1621537-A1 FIVE-MEMBERED HETEROCYCLIC DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-01 EP 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-20060189591-A1 Five-membered heterocyclic derivative PTGS1, PTGIS, PTGS2 GABRA2 3363/4885GABRB2 3006/4885MLYCD 2910/4885

“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.