SCHEMBL4752792

SCHEMBL4752792

Nc1nc2[nH]nc(N)c2s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
HTT P42858 1/20 0.32
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
NTRK1 P04629 1/20 0.31
PDGFRA P16234 1/20 0.31
PRKACA P17612 1/20 0.31
LTK P29376 1/20 0.31
GRK5 P34947 1/20 0.31
MAPK8 P45983 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
SCHEMBL5578045 0.78 RPS6KA3 (0.44) RPS6KA3SMN1; SMN2GAAMAPTMAPK1
SCHEMBL14454806 0.78 RPS6KA3 (0.44) RPS6KA3SMN1; SMN2GAAMAPTMAPK1
SCHEMBL3500620 0.74 RPS6KA3 (0.41) RPS6KA3SMN1; SMN2GAAMAPTMAPK1
SCHEMBL14454801 0.74 RPS6KA3 (0.41) RPS6KA3
SCHEMBL3499091 0.70 ALDH1A1 (0.50) SMN1; SMN2GAAMAPTMAPK1HSD17B10
SCHEMBL18548474 0.70 RPS6KA3 (0.41) RPS6KA3GAAMAPTMAPK1HSD17B10
SCHEMBL3498262 0.66 TGFBR1 (0.46) SMN1; SMN2MAPTHSD17B10CDK7CDK5
SCHEMBL3755970 0.64 RPS6KA3 (1.00) RPS6KA3SMN1; SMN2GAAMAPTHSD17B10
SCHEMBL5036641 0.61 RPS6KA3 (0.48) RPS6KA3SMN1; SMN2GAAMAPTMAPK1
SCHEMBL15437033 0.59 HSD17B10 (0.58) RPS6KA3SMN1; SMN2GAAMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966222-A2 PYRAZOLOTHIAZOLE PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2008-09-10 EP disclosed
US-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators SGX PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
WO-2007059341-A2 PYRAZOLOTHIAZOLE PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2007-05-24 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-20070173488-A1 Pyrazolothiazole Protein Kinase Modulators MAP4K2, MAP4K5, MAP4K3 RPS6KA3 250/4885SMN1; SMN2 3826/4885GAA 3105/4885

“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.