SCHEMBL9968616

SCHEMBL9968616

CC(C)(C)Cc1cn2ccccc2n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.54
RAB9A P51151 11/20 0.54
SMN1; SMN2 Q16637 10/20 0.51
KDM4E B2RXH2 5/20 0.51
TSHR P16473 3/20 0.50
TP53 P04637 2/20 0.50
MAPT P10636 2/20 0.50
PDE10A Q9Y233 2/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPK1 P28482 1/20 0.50
SIRT5 Q9NXA8 1/20 0.50
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
LMNA P02545 2/20 0.48

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
SCHEMBL14408905 0.87 RAB9A (0.51) NPC1RAB9ASMN1; SMN2KDM4ETSHR
SCHEMBL18647570 0.85 NPC1 (0.43) NPC1RAB9ASMN1; SMN2KDM4ETSHR
SCHEMBL423547 0.80 NPC1 (0.58) NPC1RAB9ASMN1; SMN2KDM4ETSHR
SCHEMBL14256468 0.79 RAB9A (0.56) NPC1RAB9ASMN1; SMN2KDM4ETSHR
SCHEMBL14452085 0.77 NPC1 (0.55) NPC1RAB9ASMN1; SMN2KDM4ETSHR
SCHEMBL9971243 0.77 PDE10A (0.59) NPC1RAB9ASMN1; SMN2KDM4ETSHR
SCHEMBL102061 0.77 KDM4E (0.56) NPC1RAB9ASMN1; SMN2KDM4ETSHR
SCHEMBL859545 0.77 NPC1 (0.56) NPC1RAB9ASMN1; SMN2KDM4ETSHR
SCHEMBL9043267 0.77 RAB9A (0.55) NPC1RAB9ASMN1; SMN2KDM4ETSHR
SCHEMBL5816677 0.77 NPC1 (0.55) NPC1RAB9ASMN1; SMN2KDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230374017-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-11-23 US disclosed
US-20230374017-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-11-23 US disclosed
US-9969742-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-15 US disclosed
US-9969742-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-15 US disclosed
US-9920075-B2 Triazolopyridine and triazolopyrimidine inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2018-03-20 US disclosed
US-9884878-B2 FLAP modulators JANSSEN PHARMACEUTICA NV (BE) 2018-02-06 US disclosed
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-11-16 US disclosed
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS IRONWOOD PHARMACEUTICALS INC (US) 2017-11-16 US disclosed
US-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2017-08-31 US disclosed
US-9725453-B2 Imidazotriazinone compounds IRONWOOD PHARMACEUTICALS, INC. (US) 2017-08-08 US disclosed
US-8586732-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2013-11-19 US disclosed
US-20130184255-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. (US) 2013-07-18 US disclosed
US-20130012492-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2013-01-10 US disclosed
US-20130012492-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2013-01-10 US disclosed
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK SHARP & DOHME LLC 2012-08-02 US disclosed
US-20120157458-A1 IMIDAZOTRIAZINONE COMPOUNDS ENVIVO PHARMACEUTICALS, INC. 2012-06-21 US disclosed
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-7750151-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2010-07-06 US disclosed
US-20080280899-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US 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 (9 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-20130184255-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNJ4 NPC1 808/4885RAB9A 1395/4885SMN1; SMN2 1420/4885
US-20170247396-A1 TRIAZOLOPYRIDINE AND TRIAZOLOPYRIMIDINE INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 NPC1 3570/4885RAB9A 3642/4885SMN1; SMN2 4524/4885
US-20080280899-A1 Inhibitors of Akt Activity AKT1, AKT2, AKT3 NPC1 1455/4885RAB9A 3792/4885SMN1; SMN2 4027/4885
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK NPC1 255/4885RAB9A 1980/4885SMN1; SMN2 1371/4885
US-20170327502-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE12, PDE4A NPC1 2398/4885RAB9A 81/4885SMN1; SMN2 1351/4885
US-20120196845-A1 QUINOLINONE-PYRAZOLONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS CHRM1, OPRL1, CHRNA5 NPC1 1807/4885RAB9A 910/4885SMN1; SMN2 1644/4885
US-20130012492-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, HCN4, KCNJ4 NPC1 808/4885RAB9A 1395/4885SMN1; SMN2 1420/4885
US-20230374017-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE PCK1, PDK2, PDK1 NPC1 1233/4885RAB9A 2958/4885SMN1; SMN2 2962/4885
US-20120157458-A1 IMIDAZOTRIAZINONE COMPOUNDS PDE9A, PDE4A, PDE12 NPC1 2308/4885RAB9A 164/4885SMN1; SMN2 1634/4885

“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.