SCHEMBL675149

SCHEMBL675149

Cn1ncc(Cl)c1-c1nc(C(=O)O)cs1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
PTGER1 P34995 2/20 0.45
KDM4E B2RXH2 2/20 0.42
ACHE P22303 1/20 0.42
HPGDS O60760 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 2/20 0.36
RAB9A P51151 1/20 0.36
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35
PRKAB1 Q9Y478 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL674281 0.82 MAPT (0.51) ALDH1A1L3MBTL1GAARAB9ASMN1; SMN2
SCHEMBL1682693 0.74 KMT2A (0.36) ALDH1A1KDM4EGAARAB9ASMN1; SMN2
SCHEMBL1539571 0.72 HCAR2 (0.44) ALDH1A1KDM4EGAARAB9APRKAG1
SCHEMBL6786585 0.72 ALDH1A1 (0.63) ALDH1A1PTGER1KDM4EACHEHPGDS
SCHEMBL1529600 0.71 AKT1 (0.51) ALDH1A1KDM4EGAA
SCHEMBL25527328 0.71 HTR2A (0.38) ALDH1A1KDM4E
SCHEMBL676174 0.71 ALDH1A1 (0.51) ALDH1A1PTGER1KDM4EACHEHPGDS
SCHEMBL1815261 0.71 ALDH1A1 (0.55) ALDH1A1PTGER1KDM4EACHEHPGDS
SCHEMBL17130078 0.70 GPR35 (0.39) ALDH1A1KDM4EGAARAB9ASMN1; SMN2
SCHEMBL1529864 0.70 DAO (0.45) ALDH1A1KDM4EGAARAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160255-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC 2011-06-30 US disclosed
US-20110160255-A1 INHIBITORS OF AKT ACTIVITY GLAXOSMITHKLINE LLC 2011-06-30 US disclosed
EP-2303852-A2 INHIBITORS OF AKT ACTIVITY GlaxoSmithKline LLC (US) 2011-04-06 EP disclosed
WO-2009158374-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2009-12-30 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-20110160255-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, PIK3CA ALDH1A1 4692/4885PTGER1 3477/4885KDM4E 2097/4885

“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.