SCHEMBL1970897

SCHEMBL1970897

COc1nc(Nc2ccc(-n3ccnc3)cc2)nc(Oc2cccnc2Cl)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 1/20 0.41
NOTUM Q6P988 1/20 0.38
ACVR1 Q04771 1/20 0.38
HTT P42858 2/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
ADRB2 P07550 2/20 0.37
ADRB1 P08588 2/20 0.37
ADRB3 P13945 2/20 0.37
MAPK1 P28482 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL1966932 0.81 MAPT (0.49) MAPTGAASMN1; SMN2ALDH1A1NOTUM
SCHEMBL1965749 0.76 PSEN1 (0.58)
SCHEMBL1969975 0.73 PSEN1 (0.47) MAPTGAAMEN1LMNAKMT2A
SCHEMBL7535971 0.63 ABL1 (0.55) ACVR1CYP3A4ABL1PDGFRBBCR
SCHEMBL27632871 0.63 ALDH1A1 (0.63) MAPTGAASMN1; SMN2ALDH1A1HTT
SCHEMBL28484940 0.63 CYP3A4 (0.71) MAPTSMN1; SMN2ALDH1A1NOTUMHTT
SCHEMBL10574531 0.62 MAPT (0.60) MAPTGAANOTUMHTTCYP11B1
SCHEMBL29576366 0.62 CYP11B1 (0.53) ACVR1CYP11B1CYP11B2NCOA3MAOA
SCHEMBL7464672 0.62 ABL1 (0.79) ALDH1A1ACVR1MAPK1CYP1A2CYP3A4
SCHEMBL285074 0.61 CYP11B1 (0.73) MAPTSMN1; SMN2ALDH1A1NOTUMHTT

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 14 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
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-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-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
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
US-20100093731-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2010-04-15 US 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
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 55/4885GAA 1082/4885SMN1; SMN2 2006/4885
US-20120190682-A1 MODULATORS FOR AMYLOID BETA APP, APH1B, APOB MAPT 55/4885GAA 1082/4885SMN1; SMN2 2006/4885
US-20100093731-A1 MODULATORS FOR AMYLOID BETA APP, APH1B, APOB MAPT 55/4885GAA 1082/4885SMN1; SMN2 2006/4885

“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.