SCHEMBL1982303

SCHEMBL1982303

COc1ccc2nc(-c3ccc(N)cc3C(F)(F)F)sc2c1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
APP P05067 6/20 0.62
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C19 P33261 1/20 0.52
ILK Q13418 1/20 0.52
MAPT P10636 1/20 0.48
ALK Q9UM73 1/20 0.48
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL1982972 0.83 APP (0.67) APPCYP1A2CYP3A4CYP2C19ILK
SCHEMBL4730485 0.81 APP (0.66) APPCYP1A2CYP3A4CYP2C19ILK
SCHEMBL1982367 0.81 APP (0.53) APPILKMAPTALK
SCHEMBL229456 0.81 APP (0.68) APPCYP1A2CYP3A4CYP2C19ILK
SCHEMBL28798406 0.79 APP (0.61) APPCYP1A2CYP3A4CYP2C19ILK
SCHEMBL1989336 0.79 APP (0.66) APPCYP1A2CYP3A4CYP2C19GLA
SCHEMBL2194594 0.77 SCD (0.58) MAPT
SCHEMBL12974045 0.77 APP (1.00) APPCYP1A2CYP3A4CYP2C19MAPT
SCHEMBL1977100 0.77 APP (1.00) APPCYP1A2CYP3A4CYP2C19MAPT
SCHEMBL5756089 0.77 APP (0.62) APPCYP1A2CYP3A4CYP2C19ILK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2338059-B1 Ligands for aggregated tau molecules WISTA LAB LTD (SG) 2015-04-08 EP disclosed
EP-2338059-B1 Ligands for aggregated tau molecules WISTA LAB LTD (SG) 2015-04-08 EP disclosed
US-8895313-B2 Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-11-25 US disclosed
US-8895313-B2 Ligands for aggregated tau molecules WISTA LABORATORIES LTD. (SG) 2014-11-25 US disclosed
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 US disclosed
US-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. 2011-07-14 US disclosed
EP-2338059-A1 LIGANDS FOR AGGREGATED TAU MOLECULES Wista Laboratories Ltd. (SG) 2011-06-29 EP disclosed
WO-2010034982-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. (SG) 2010-04-01 WO disclosed
WO-2010034982-A1 LIGANDS FOR AGGREGATED TAU MOLECULES WISTA LABORATORIES LTD. (SG) 2010-04-01 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-20110171739-A1 LIGANDS FOR AGGREGATED TAU MOLECULES MAPT, PRNP, MAP4 APP 17/4885CYP1A2 3651/4885CYP3A4 1741/4885

“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.