SCHEMBL606392

SCHEMBL606392

O=C(N[C@@H]1CCCc2ccccc21)C(F)(F)F

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.63
ALDH1A1 P00352 2/20 0.62
KMT2A Q03164 2/20 0.60
MEN1 O00255 1/20 0.60
EPHX1 P07099 1/20 0.60
TAS1R3 Q7RTX0 6/20 0.59
TAS1R1 Q7RTX1 6/20 0.59
NPSR1 Q6W5P4 1/20 0.59
TAS1R2 Q8TE23 4/20 0.58
LMNA P02545 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.56
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56

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
SCHEMBL1266129 1.00 HTT (0.63) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL15006999 1.00 HTT (0.63) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL1987710 0.91 MTNR1A (0.57) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL599005 0.91 MTNR1A (0.57) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL14335627 0.85 HTT (0.63) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL15468697 0.85 HTT (0.56) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL15705319 0.83 HTT (0.68) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL13569354 0.83 HTT (0.64) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL1266382 0.82 TAS1R3 (0.51) HTTALDH1A1KMT2AMEN1EPHX1
SCHEMBL1266380 0.82 TAS1R3 (0.51) HTTALDH1A1KMT2AMEN1EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592674-B1 AMINO 1, 3, 5-TRIAZINES N-SUBSTITUTED WITH CHIRAL BICYCLIC RADICALS, PROCESS FOR THEIR PREPARATION, COMPOSITIONS THEREOF AND THEIR USE AS HERBICIDES AND PLANT GROWTH REGULATORS BAYER CROPSCIENCE AG (DE) 2014-03-05 EP disclosed
US-20120101287-A1 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2012-04-26 US disclosed
US-8114991-B2 Used for the control of a range of harmful weeds BAYER CROPSCIENCE AG (DE) 2012-02-14 US disclosed
EP-2305655-A2 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators. Bayer CropScience AG (DE) 2011-04-06 EP disclosed
US-7915268-B2 And 8-substituted 2-(imidazolo[4,5-c]pyridinyl)purines; Janus kinase 3 inhibitors; autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection WYETH LLC (US) 2011-03-29 US disclosed
US-7915268-B2 And 8-substituted 2-(imidazolo[4,5-c]pyridinyl)purines; Janus kinase 3 inhibitors; autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection WYETH LLC (US) 2011-03-29 US disclosed
US-7915268-B2 And 8-substituted 2-(imidazolo[4,5-c]pyridinyl)purines; Janus kinase 3 inhibitors; autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection WYETH LLC (US) 2011-03-29 US disclosed
US-7884109-B2 immunosuppressants such as 2-(6-Fluoro-1H-benzo[d]imidazol-1-yl)-9-((1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-8(9H)-one, used for the prevention and treatment of autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection WYETH LLC (US) 2011-02-08 US disclosed
US-7884109-B2 immunosuppressants such as 2-(6-Fluoro-1H-benzo[d]imidazol-1-yl)-9-((1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-8(9H)-one, used for the prevention and treatment of autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection WYETH LLC (US) 2011-02-08 US disclosed
US-7884109-B2 immunosuppressants such as 2-(6-Fluoro-1H-benzo[d]imidazol-1-yl)-9-((1R,4R)-4-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)-7H-purin-8(9H)-one, used for the prevention and treatment of autoimmune diseases, inflammatory disease, mast cell mediated disease and transplant rejection WYETH LLC (US) 2011-02-08 US disclosed
WO-2009048474-A1 2,7,9-SUBSTITUTED PURINONE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2009-04-16 WO disclosed
WO-2009048474-A1 2,7,9-SUBSTITUTED PURINONE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2009-04-16 WO disclosed
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-11-20 US disclosed
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-11-20 US disclosed
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-11-20 US disclosed
US-20080085898-A1 8-SUBSTITUTED 2-(BENZIMIDAZOLYL)PURINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-04-10 US disclosed
US-20080085898-A1 8-SUBSTITUTED 2-(BENZIMIDAZOLYL)PURINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-04-10 US disclosed
US-20080085898-A1 8-SUBSTITUTED 2-(BENZIMIDAZOLYL)PURINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC. (US) 2008-04-10 US disclosed
WO-2008043019-A1 8-SUBSTITUTED 2-(BENZIMIDAZOLYL) PURINE DERIVATIVES FOR IMMUNOSUPPRESSION PHARMACOPEIA, INC (US) 2008-04-10 WO disclosed
US-20040157739-A1 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators BAYER CROPSCIENCE AG (DE) 2004-08-12 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 (4 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-20040157739-A1 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators CYP4Z1, IL4I1, BCAT1 HTT 2360/4885ALDH1A1 797/4885KMT2A 974/4885
US-20080085898-A1 8-SUBSTITUTED 2-(BENZIMIDAZOLYL)PURINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, KIT, ADORA2A HTT 4742/4885ALDH1A1 352/4885KMT2A 2033/4885
US-20120101287-A1 Amino-1,3,5-triazines N-substituted with chiral bicyclic radicals, process for their preparation, compositions thereof, and their use as herbicides and plant growth regulators IL4I1, DAO, CYP4Z1 HTT 2792/4885ALDH1A1 512/4885KMT2A 836/4885
US-20080287468-A1 PURINE AND IMIDAZOPYRIDINE DERIVATIVES FOR IMMUNOSUPPRESSION TPMT, P2RY4, P2RY1 HTT 4595/4885ALDH1A1 514/4885KMT2A 2848/4885

“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.