SCHEMBL2960945

SCHEMBL2960945

N#CC(c1ccco1)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ACHE P22303 2/20 0.48
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 2/20 0.40
HPGD P15428 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL9162336 0.77 ALDH1A1 (0.83) ALDH1A1SMN1; SMN2TSHRACHEKDM4E
SCHEMBL2781893 0.76 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2NPSR1ACHEKDM4E
SCHEMBL9168254 0.75 ACHE (0.64) ALDH1A1SMN1; SMN2TSHRACHEKDM4E
SCHEMBL1472784 0.74 MAPK1 (0.53) ALDH1A1SMN1; SMN2TSHRMAPK1NPSR1
SCHEMBL19813835 0.73 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRMAPK1NPSR1
SCHEMBL16995098 0.72 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2ACHEKDM4EHSD17B10
SCHEMBL2781199 0.71 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2MAPK1ACHEKDM4E
SCHEMBL2781822 0.71 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2TSHRACHEKDM4E
SCHEMBL2779689 0.71 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2NPSR1ACHEKDM4E
SCHEMBL24994428 0.70 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2TSHRACHEKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7767812-B2 Crystals of pyrimidine compound and process for producing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-03 US disclosed
US-7767812-B2 Crystals of pyrimidine compound and process for producing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-03 US disclosed
US-7767812-B2 Crystals of pyrimidine compound and process for producing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-03 US disclosed
EP-2210889-A1 Process for producing pyrimidine compound Eisai R&D Management Co., Ltd. (JP) 2010-07-28 EP disclosed
EP-2210889-A1 Process for producing pyrimidine compound Eisai R&D Management Co., Ltd. (JP) 2010-07-28 EP disclosed
US-20100179321-A1 SALT OF 5-[2-AMINO-4-(2-FURYL)PYRIMIDIN-5-YL]-1-METHYLPYRIDIN-2(1H)-ONE AND CRYSTAL THEREOF EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-07-15 US disclosed
US-20100179321-A1 SALT OF 5-[2-AMINO-4-(2-FURYL)PYRIMIDIN-5-YL]-1-METHYLPYRIDIN-2(1H)-ONE AND CRYSTAL THEREOF EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-07-15 US disclosed
US-20100179321-A1 SALT OF 5-[2-AMINO-4-(2-FURYL)PYRIMIDIN-5-YL]-1-METHYLPYRIDIN-2(1H)-ONE AND CRYSTAL THEREOF EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-07-15 US disclosed
US-7538117-B2 Crystalline and amorphous pyrimidine compounds and processes for preparing pyrimidine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-05-26 US disclosed
US-7538117-B2 Crystalline and amorphous pyrimidine compounds and processes for preparing pyrimidine compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-05-26 US disclosed
US-7396928-B2 Crystals of 5-[2-amino-4-(2-furyl) pyrimidin-5-yl]-1-methylpyridin-2(1H)-one and processes for preparing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-07-08 US disclosed
US-7396928-B2 Crystals of 5-[2-amino-4-(2-furyl) pyrimidin-5-yl]-1-methylpyridin-2(1H)-one and processes for preparing the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-07-08 US disclosed
EP-1862463-A1 PYRIMIDINE COMPOUND CRYSTAL OR AMORPHOUS FORM AND PROCESS FOR PRODUCING THE SAME Eisai R&D Management Co., Ltd. (JP) 2007-12-05 EP disclosed
EP-1862463-A1 PYRIMIDINE COMPOUND CRYSTAL OR AMORPHOUS FORM AND PROCESS FOR PRODUCING THE SAME Eisai R&D Management Co., Ltd. (JP) 2007-12-05 EP disclosed
EP-1840128-A1 CRYSTAL OF 5-[2-AMINO-4-(2-FURYL)PYRIMIDIN-5-YL]-1- METHYLPYRIDIN-2(1H)-ONE AND PROCESS FOR PRODUCING THE SAME Eisai R&D Management Co., Ltd. (JP) 2007-10-03 EP disclosed
EP-1840128-A1 CRYSTAL OF 5-[2-AMINO-4-(2-FURYL)PYRIMIDIN-5-YL]-1- METHYLPYRIDIN-2(1H)-ONE AND PROCESS FOR PRODUCING THE SAME Eisai R&D Management Co., Ltd. (JP) 2007-10-03 EP disclosed
US-20070078151-A1 Crystalline and amorphous pyrimidine compounds and processes for preparing pyrimidine compounds EISAI CO., LTD. (JP) 2007-04-05 US disclosed
US-20070078151-A1 Crystalline and amorphous pyrimidine compounds and processes for preparing pyrimidine compounds EISAI CO., LTD. (JP) 2007-04-05 US disclosed
US-20070078151-A1 Crystalline and amorphous pyrimidine compounds and processes for preparing pyrimidine compounds EISAI CO., LTD. (JP) 2007-04-05 US disclosed
US-20060235225-A1 Crystals of 5-[2-amino-4-(2-furyl) pyrimidin-5-yl]-1-methylpyridin-2(1H)-one and processes for preparing the same EISAI CO., LTD. (JP) 2006-10-19 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 (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-20100179321-A1 SALT OF 5-[2-AMINO-4-(2-FURYL)PYRIMIDIN-5-YL]-1-METHYLPYRIDIN-2(1H)-ONE AND CRYSTAL THEREOF SLC28A1, SLC28A2, SLC20A1 ALDH1A1 684/4885SMN1; SMN2 2540/4885TSHR 4011/4885
US-20070078151-A1 Crystalline and amorphous pyrimidine compounds and processes for preparing pyrimidine compounds UMPS, TYMP, UPP1 ALDH1A1 2704/4885SMN1; SMN2 613/4885TSHR 4293/4885
US-20060235225-A1 Crystals of 5-[2-amino-4-(2-furyl) pyrimidin-5-yl]-1-methylpyridin-2(1H)-one and processes for preparing the same APC, MLN, CROCC ALDH1A1 2131/4885SMN1; SMN2 80/4885TSHR 4480/4885

“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.