SCHEMBL2992691

SCHEMBL2992691

c1cnc2c(c1)-c1cc[nH]c1CC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.36
NUDT1 P36639 1/20 0.36
PSMD14 O00487 1/20 0.36
CYP19A1 P11511 3/20 0.33
TBXAS1 P24557 3/20 0.33
DUSP10 Q9Y6W6 1/20 0.32
SLC11A2 P49281 1/20 0.32
MAPK14 Q16539 1/20 0.31
TDP2 O95551 1/20 0.31
NSD2 O96028 1/20 0.31
ABL1 P00519 1/20 0.31
PLCG1 P19174 1/20 0.31
CES1 P23141 1/20 0.31
PAX8 Q06710 1/20 0.31
RIN1 Q13671 1/20 0.31
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL14452881 0.84 AXL (0.37) AXLNUDT1PSMD14TDP2NSD2
SCHEMBL22579802 0.80 TDP1 (0.42) CYP19A1TBXAS1DUSP10MAPK14TDP2
SCHEMBL2981867 0.76 MAPK1 (0.31)
SCHEMBL2984071 0.74 HRH1 (0.40) AXLNUDT1PSMD14SLC11A2MAPK14
SCHEMBL2993177 0.74 CA1 (0.33)
SCHEMBL9923724 0.73 SMN1; SMN2 (0.39) AXLNUDT1PSMD14TDP2NSD2
SCHEMBL3091229 0.69 CES1 (0.45) CYP19A1SLC11A2CES1TDP1
SCHEMBL1864779 0.69 CHRM2 (0.45) CYP19A1MAPK14CES1
SCHEMBL9923728 0.69 AXL (0.34) AXLNUDT1PSMD14TDP1
SCHEMBL4015467 0.67 TDP2 (0.45) CYP19A1TBXAS1MAPK14TDP2NSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216966-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-12-22 US disclosed
US-9034871-B2 Compounds for Alzheimer's disease Manfredi, John (US) 2015-05-19 US disclosed
EP-1809601-B1 COMPOUNDS FOR ALZHEIMER'S DISEASE MANFREDI JOHN (US) 2014-09-10 EP disclosed
US-20130261118-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE MANFREDI JOHN (US) 2013-10-03 US disclosed
US-20120225845-A1 COMPOUNDS FOR DISEASES AND DISORDERS MYREXIS, INC. (US) 2012-09-06 US disclosed
US-20120225873-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE MYREXIS, INC. (US) 2012-09-06 US disclosed
CN-101068781-B Compounds for alzheimer's disease MYRIAD GENETICS, INC. (US) 2012-02-01 CN disclosed
US-20100184975-A1 COMPOUNDS FOR ALZHEIMBER'S DISEASE MYRIAD PHARMACEUTICALS, INC. (US) 2010-07-22 US disclosed
US-7678823-B2 N-phenylindoles; oral dosage forms; side effect reduction Myriad Pharmaceticals, Inc. (US) 2010-03-16 US disclosed
CN-101460164-A Compounds for diseases and disorders MYRIAD GENETICS INC (US) 2009-06-17 CN disclosed
US-20090099179-A1 COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INCORPORATED (US) 2009-04-16 US disclosed
EP-2010187-A2 COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-01-07 EP disclosed
US-20080249135-A1 N-phenylindoles; oral dosage forms; side effect reduction MYRIAD GENETICS, INCORPORATED (US) 2008-10-09 US disclosed
CN-101068781-A Compounds for alzheimer's disease MYRIAD GENETICS INC (US) 2007-11-07 CN disclosed
WO-2007115306-A2 COMPOUNDS FOR DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2007-10-11 WO disclosed
EP-1809601-A2 COMPOUNDS FOR ALZHEIMER'S DISEASE MYRIAD GENETICS, INC. (US) 2007-07-25 EP disclosed
WO-2006041874-A2 COMPOUNDS FOR ALZHEIMER'S DISEASE MYRIAD GENETICS, INC. (US) 2006-04-20 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-20130261118-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE SLC18A2, SLC18A3, NLN AXL 4803/4885NUDT1 2236/4885PSMD14 2131/4885
US-20090099179-A1 COMPOUNDS FOR DISEASES AND DISORDERS CLN6, NLN, CLTC AXL 3581/4885NUDT1 1003/4885PSMD14 3927/4885
US-20120225845-A1 COMPOUNDS FOR DISEASES AND DISORDERS CLN6, NLN, CLTC AXL 3581/4885NUDT1 1003/4885PSMD14 3927/4885
US-20080249135-A1 N-phenylindoles; oral dosage forms; side effect reduction NCL, PSEN2, CCNO AXL 3154/4885NUDT1 1345/4885PSMD14 4177/4885
US-20100184975-A1 COMPOUNDS FOR ALZHEIMBER'S DISEASE PSEN2, PSEN1, CLN6 AXL 1793/4885NUDT1 2187/4885PSMD14 3503/4885
US-20120225873-A1 COMPOUNDS FOR ALZHEIMER'S DISEASE PSEN2, CHAT, PSEN1 AXL 1563/4885NUDT1 2102/4885PSMD14 4174/4885

“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.