SCHEMBL5578045

SCHEMBL5578045

Nc1nc2[nH]nc(Br)c2s1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.44
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL4752792 0.78 RPS6KA3 (0.47) RPS6KA3GAAMAPTMAPK1HSD17B10
SCHEMBL14454806 0.75 RPS6KA3 (0.44) RPS6KA3GAAMAPTMAPK1HSD17B10
SCHEMBL14454801 0.71 RPS6KA3 (0.41) RPS6KA3
SCHEMBL3500620 0.71 RPS6KA3 (0.41) RPS6KA3GAAMAPTMAPK1HSD17B10
SCHEMBL3499091 0.67 ALDH1A1 (0.50) GAAMAPTMAPK1HSD17B10SMN1; SMN2
SCHEMBL18548474 0.67 RPS6KA3 (0.41) RPS6KA3GAAMAPTMAPK1HSD17B10
SCHEMBL3498262 0.63 TGFBR1 (0.46) MAPTHSD17B10SMN1; SMN2
SCHEMBL3755970 0.61 RPS6KA3 (1.00) RPS6KA3GAAMAPTHSD17B10SMN1; SMN2
SCHEMBL11450695 0.59 SMN1; SMN2 (0.43) RPS6KA3GAAMAPTMAPK1HSD17B10
SCHEMBL5036641 0.58 RPS6KA3 (0.48) RPS6KA3GAAMAPTMAPK1HSD17B10

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-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators SGX PHARMACEUTICALS, INC. (US) 2007-07-26 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-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators MAP4K2, MAP4K5, MAP4K3 RPS6KA3 250/4885GAA 3105/4885MAPT 773/4885

“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.