Sugi Predict

Sugi Predict / Compounds / SCHEMBL3411035

SCHEMBL3411035

SCHEMBL3411035

COc1cc(N)ccc1-c1cnc(C)o1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IMPDH2 P12268 4/20 0.58
▸ IMPDH1 P20839 1/20 0.58
▸ CA12 O43570 3/20 0.48
▸ CA2 P00918 3/20 0.48
▸ CA9 Q16790 3/20 0.48
▸ LRRK2 Q5S007 1/20 0.46
▸ PSEN1 P49768 3/20 0.41
▸ PSEN2 P49810 3/20 0.41
▸ APH1B Q8WW43 3/20 0.41
▸ NCSTN Q92542 3/20 0.41
▸ APH1A Q96BI3 3/20 0.41
▸ PSENEN Q9NZ42 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ TSHR P16473 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NR4A1 P22736 1/20 0.40
▸ PIK3CD O00329 1/20 0.38

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
SCHEMBL157353 0.82 CA12 (0.45) IMPDH2IMPDH1CA12CA2CA9
SCHEMBL16474095 0.80 LRRK2 (0.49) CA12CA2CA9LRRK2TSHR
SCHEMBL3366607 0.79 IMPDH2 (0.61) IMPDH2IMPDH1MAPTGAAKDM4E
SCHEMBL31061847 0.78 LRRK2 (0.48) IMPDH2IMPDH1CA12CA2CA9
SCHEMBL7894141 0.78 LRRK2 (0.48) IMPDH2IMPDH1CA12CA2CA9
SCHEMBL31415354 0.78 PIK3CD (0.50) CA12CA2CA9LRRK2MAPT
SCHEMBL153885 0.77 CA12 (0.50) IMPDH2CA12CA2CA9TSHR
SCHEMBL6123291 0.76 MAPT (0.47) IMPDH2CA12CA2CA9PSEN1
SCHEMBL16063166 0.76 KMT2A (0.51) CA12CA2CA9MAPTHTT
SCHEMBL154457 0.76 IMPDH2 (0.45) IMPDH2CA12CA2CA9MAPT

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2958919-B1 DIHYDROPTERIDINONES I BOEHRINGER INGELHEIM INT (DE) 2019-05-22 — — EP disclosed
EP-3004079-B1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS ACTURUM REAL ESTATE AB (SE) 2018-01-17 — — EP disclosed
US-9439904-B2 Pyrimidine compounds and their use as gamma secretase modulators Acturum Life Science AB (SE) 2016-09-13 — — US disclosed
US-20160129002-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS Acturum Life Science AB (SE) 2016-05-12 — — US disclosed
EP-3004079-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS Acturum Life Science AB (SE) 2016-04-13 — — EP disclosed
US-9145399-B2 Substituted bicyclic triazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-09-29 — — US disclosed
US-9079886-B2 Substituted triazole derivatives as gamma secretase modulators Janssen Pharmaceuticals, Inc. (US) 2015-07-14 — — US disclosed
US-9006226-B2 Dihydropteridinones I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 — — US disclosed
US-9006226-B2 Dihydropteridinones I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-04-14 — — US disclosed
US-20150094311-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS CELLZOME LTD (GB) 2015-04-02 — — US disclosed
WO-2014127816-A1 DIHYDROPTERIDINONES II BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-28 — — WO disclosed
US-20130225549-A1 DIHYDROPTERIDINONES I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 — — US disclosed
US-20130225593-A1 DIHYDROPTERIDINONES II BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 — — US disclosed
US-20130225549-A1 DIHYDROPTERIDINONES I BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 — — US disclosed
US-20130225593-A1 DIHYDROPTERIDINONES II BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-29 — — US disclosed
EP-2257541-B1 MODULATORS FOR AMYLOID BETA HOFFMANN LA ROCHE (CH) 2013-08-14 — — EP disclosed
US-20130190302-A1 MODULATORS OF AMYLOID BETA HOFFMANN-LA ROCHE INC. (US) 2013-07-25 — — US disclosed
EP-2257541-A1 MODULATORS FOR AMYLOID BETA F. Hoffmann-La Roche AG (CH) 2010-12-08 — — EP disclosed
US-20090215759-A1 MODULATORS FOR AMYLOID BETA HOFFMANN-LA ROCHE, INC. 2009-08-27 — — US disclosed
WO-2009103652-A1 MODULATORS FOR AMYLOID BETA F. HOFFMANN-LA ROCHE AG (CH) 2009-08-27 — — 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 (6 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-20130225549-A1 DIHYDROPTERIDINONES I BACE1, APP, BACE2 IMPDH2 2317/4885IMPDH1 2141/4885CA12 3828/4885
US-20150094311-A1 NOVEL SUBSTITUTED BICYCLIC HETEROCYCLIC COMPOUNDS AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APH1A IMPDH2 3553/4885IMPDH1 3421/4885CA12 4416/4885
US-20090215759-A1 MODULATORS FOR AMYLOID BETA APP, PSEN1, APOB IMPDH2 1397/4885IMPDH1 1067/4885CA12 4718/4885
US-20160129002-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS GAMMA SECRETASE MODULATORS BACE1, BACE2, APP IMPDH2 183/4885IMPDH1 97/4885CA12 4692/4885
US-20130225593-A1 DIHYDROPTERIDINONES II BACE1, BACE2, APP IMPDH2 1437/4885IMPDH1 2147/4885CA12 3757/4885
US-20130190302-A1 MODULATORS OF AMYLOID BETA APP, PSEN1, APOB IMPDH2 1430/4885IMPDH1 1072/4885CA12 4692/4885

“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.