SCHEMBL5577987

SCHEMBL5577987

Nc1nc2[nH]nc(NC(=O)COc3ccccc3)c2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
ADORA3 P0DMS8 3/20 0.49
ADORA2A P29274 3/20 0.49
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
ALPL P05186 1/20 0.49
NPC1 O15118 5/20 0.48
TSHR P16473 1/20 0.48
GAA P10253 1/20 0.48
ADORA1 P30542 1/20 0.47
TP53 P04637 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALOX12 P18054 1/20 0.46
THRB P10828 2/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL5577980 0.86 CSNK2A2 (0.49) RAB9ASMN1; SMN2ADORA3ADORA2AALDH1A1
SCHEMBL14454811 0.81 RAB9A (0.50) RAB9ASMN1; SMN2ADORA3ADORA2AALDH1A1
SCHEMBL18576414 0.74 GSK3A (0.43) RAB9ASMN1; SMN2ALDH1A1MAPTGAA
SCHEMBL14531004 0.70 SENP2 (0.49) RAB9ASMN1; SMN2MAPTNPC1TSHR
SCHEMBL14454837 0.70 MAOB (0.54) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL14336397 0.68 GAA (0.64) RAB9ASMN1; SMN2ALDH1A1ALPLNPC1
SCHEMBL822367 0.68 NPC1 (0.75) RAB9ASMN1; SMN2ADORA3ADORA2AALDH1A1
SCHEMBL3579484 0.67 MAPT (0.84) RAB9ASMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL6933552 0.67 ALPL (0.52) RAB9ASMN1; SMN2ADORA3ADORA2AALDH1A1
SCHEMBL2916913 0.67 CCNA2 (0.72) RAB9ASMN1; SMN2ADORA3ADORA2AALDH1A1

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 RAB9A 1840/4885SMN1; SMN2 3826/4885ADORA3 2624/4885

“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.