SCHEMBL5578031

SCHEMBL5578031

COCCNC(=O)COc1ccc(-c2cncn2-c2nn(C(N)=O)c3n[c]sc23)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
TSHR P16473 1/20 0.34
PDE4D Q08499 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ALPL P05186 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PPARD Q03181 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HTR2A P28223 1/20 0.30
ROCK2 O75116 1/20 0.30

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
SCHEMBL5577969 0.88 PRKAB2 (0.35) CYP1A2CYP2C9CYP2C19GRIN1GRIN2B
Hydrochloric Acid SCHEMBL5577972 0.84 CYP2C19 (0.30) CYP2C19
SCHEMBL5578030 0.78 HPGD (0.39) HPGDCYP1A2CYP2C9CYP2C19GRIN1
SCHEMBL5578039 0.77 HPGD (0.40) HPGDCYP1A2CYP2C9CYP2C19GRIN1
SCHEMBL5577963 0.76 GPBAR1 (0.35) ALDH1A1KDM4E
SCHEMBL14454974 0.73 HPGD (0.38) HPGDCYP1A2CYP2C9CYP2C19GRIN1
SCHEMBL5577964 0.66 PRKAB2 (0.36) CYP1A2CYP2C9CYP2C19GRIN1GRIN2B
SCHEMBL5577974 0.66 PRKAB2 (0.38) CYP1A2CYP2C9CYP2C19TSHRCYP3A4
SCHEMBL14454975 0.64 ADORA2A (0.37) HPGDALDH1A1KDM4EROCK2
SCHEMBL14454979 0.64 MCHR1 (0.35) HPGDALDH1A1KDM4E

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 HPGD 1949/4885CYP1A2 3327/4885CYP2C9 3910/4885

“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.