SCHEMBL5577976

SCHEMBL5577976

N=C(Nc1n[nH]c2nc(C(N)=O)sc12)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.36
IKBKB O14920 1/20 0.34
HTT P42858 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TBK1 Q9UHD2 1/20 0.33
F2 P00734 2/20 0.33
F12 P00748 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
MAPT P10636 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
PARP1 P09874 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33

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
SCHEMBL14454990 0.78 GSK3A (0.47) ALDH1A1ADORA3ADORA2AADORA1MAPT
SCHEMBL3501102 0.74 CYP1A2 (0.43) CYP1A2IKBKBALDH1A1MAPTPOLB
SCHEMBL14454844 0.71 NPC1 (0.54) HTTALDH1A1ADORA3ADORA2AADORA1
SCHEMBL4752790 0.68 ILK (0.32)
SCHEMBL3501617 0.68 GRM2 (0.38) HTTALDH1A1MAPTHSD17B10NPC1
SCHEMBL5578040 0.67 DYRK1A (0.32) DYRK1A
SCHEMBL14454812 0.65 GSK3A (0.49) HTTADORA3ADORA2AADORA1MAPT
SCHEMBL3500615 0.64 ALDH1A1 (0.31) ALDH1A1HPGD
SCHEMBL5577987 0.63 RAB9A (0.49) ALDH1A1ADORA3ADORA2AADORA1MAPT
SCHEMBL14454809 0.62 NPC1 (0.52) ALDH1A1ADORA3MAPTNPC1RAB9A

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 CYP1A2 3327/4885IKBKB 677/4885HTT 1834/4885

“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.