SCHEMBL1966932

SCHEMBL1966932

COc1nc(Cl)nc(Nc2ccc(-n3ccnc3)cc2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 1/20 0.47
NOTUM Q6P988 1/20 0.47
MAPK1 P28482 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 3/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
NFKB1 P19838 2/20 0.40
PTGS2 P35354 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL1970897 0.81 MAPT (0.41) MAPTSMN1; SMN2ALDH1A1NOTUMMAPK1
SCHEMBL13950835 0.76 TXN (0.64) MAPTSMN1; SMN2ALDH1A1HTTGAA
SCHEMBL3121156 0.76 MAPT (0.59) MAPTSMN1; SMN2ALDH1A1MAPK1MEN1
SCHEMBL8330270 0.75 MAPT (0.68) MAPTSMN1; SMN2ALDH1A1MAPK1MEN1
SCHEMBL11432604 0.72 MAPT (0.55) MAPTSMN1; SMN2ALDH1A1MAPK1MEN1
SCHEMBL9565995 0.68 CA1 (0.58) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL285074 0.68 CYP11B1 (0.73) MAPTSMN1; SMN2ALDH1A1NOTUMMEN1
SCHEMBL2532397 0.67 LMNA (0.78) MAPTNOTUMMEN1KMT2AHTT
SCHEMBL8973510 0.67 MAPT (1.00) MAPTSMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL28484940 0.67 CYP3A4 (0.71) MAPTSMN1; SMN2ALDH1A1NOTUMMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2334665-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-07-10 EP disclosed
US-20130143883-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-06-06 US disclosed
US-8389717-B2 Modulators for amyloid beta HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
US-20120190682-A1 MODULATORS FOR AMYLOID BETA GOETSCHI ERWIN (CH) 2012-07-26 US disclosed
EP-2334665-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2011-06-22 EP disclosed
US-20100093731-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2010-04-15 US disclosed
WO-2010040661-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2010-04-15 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 (3 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-20130143883-A1 MODULATORS FOR AMYLOID BETA APP, APH1B, APOB MAPT 55/4885SMN1; SMN2 2006/4885ALDH1A1 2052/4885
US-20120190682-A1 MODULATORS FOR AMYLOID BETA APP, APH1B, APOB MAPT 55/4885SMN1; SMN2 2006/4885ALDH1A1 2052/4885
US-20100093731-A1 MODULATORS FOR AMYLOID BETA APP, APH1B, APOB MAPT 55/4885SMN1; SMN2 2006/4885ALDH1A1 2052/4885

“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.