SCHEMBL609344

SCHEMBL609344

CCCCCc1ccnc(N=Nc2ncccn2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.51
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDPK1 O15530 1/20 0.36
LMNA P02545 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 1/20 0.34
NPC1 O15118 1/20 0.34
HSP90AA1 P07900 1/20 0.34
RAB9A P51151 1/20 0.34
APP P05067 1/20 0.33
HRH1 P35367 1/20 0.33
ADRB2 P07550 2/20 0.33
ADRB1 P08588 2/20 0.33
ADRB3 P13945 2/20 0.33
TLR7 Q9NYK1 1/20 0.33

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
SCHEMBL1819112 0.77 KCNH2 (0.59) KCNH2TDP1L3MBTL1PDPK1HRH1
SCHEMBL4800682 0.75 L3MBTL1 (0.47) TDP1L3MBTL1LMNAKDM4ESMN1; SMN2
SCHEMBL9762812 0.74 TLR8 (0.43) KCNH2TLR7
SCHEMBL899234 0.74 KCNH2 (0.55) KCNH2TDP1L3MBTL1PDPK1KDM4E
SCHEMBL11561943 0.74 KCNH2 (0.55) KCNH2TDP1L3MBTL1PDPK1KDM4E
SCHEMBL2496375 0.73 TLR8 (0.43) TLR7
SCHEMBL17053275 0.73 KCNH2 (0.58) KCNH2TDP1L3MBTL1LMNAKDM4E
SCHEMBL27977748 0.73 KCNH2 (0.58) KCNH2TDP1L3MBTL1LMNAKDM4E
SCHEMBL22298878 0.73 KCNH2 (0.58) KCNH2TDP1L3MBTL1LMNAKDM4E
SCHEMBL3248683 0.73 KCNH2 (0.53) KCNH2PDPK1KDM4ESMN1; SMN2USP2

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-0052959-B1 PRODUCTION OF PURINE DERIVATIVES AND INTERMEDIATES THEREFOR Takeda Chemical Industries, Ltd. (JP) 1986-01-29 EP claimed
EP-0052959-A1 Production of purine derivatives and intermediates therefor Takeda Chemical Industries, Ltd. (JP) 1982-06-02 EP claimed
JP-58032867-A None JP disclosed
US-20120130058-A1 REDUCTION OF 5-(ARYL-DIAZENYL)-4,6-DIHALO-PYRIMIDINE QUITTMANN WILHELM (CH) 2012-05-24 US disclosed
US-8114996-B2 Reduction of 5-(aryl-diazenyl)-4,6-dihalo-pyrimidine LONZA AG (CH) 2012-02-14 US disclosed
US-20110178298-A1 REDUCTION OF 5-(ARYL-DIAZENYL)-4,6-DIHALO-PYRIMIDINE LONZA AG (CH) 2011-07-21 US disclosed
US-20100302487-A1 PHASE COMPENSATION FILM DOW GLOBAL TECHNOLOGIES LLC 2010-12-02 US disclosed
US-20100294989-A1 SMALL SCALE FUNCTIONAL MATERIALS DOW GLOBAL TECHNOLOGIES LLC 2010-11-25 US disclosed
EP-2231760-A1 SMALL SCALE FUNCTIONAL MATERIALS Dow Global Technologies Inc. (US) 2010-09-29 EP disclosed
EP-2225604-A1 PHASE COMPENSATION FILM COMPRISING POLYMER NANOPARTICLES IMBIBED WITH LIQUID CRYSTAL MATERIAL Dow Global Technologies Inc. (US) 2010-09-08 EP disclosed
EP-1987012-B1 REDUCTION OF 5-(ARYL-DIAZENYL)-4,6-DIHALO-PYRIMIDINE LONZA AG (CH) 2010-05-05 EP disclosed
US-5516905-A ENZYME INHIBITORS OF DNA POLYMERASE FOR BACTERICIDES UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1996-05-14 US disclosed
WO-1996006614-A1 NOVEL ANTIBIOTIC COMPOUNDS AND METHODS TO TREAT GRAM-POSITIVE BACTERIAL AND MYCOPLASMAL INFECTIONS UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1996-03-07 WO disclosed
EP-0052959-B1 PRODUCTION OF PURINE DERIVATIVES AND INTERMEDIATES THEREFOR Takeda Chemical Industries, Ltd. (JP) 1986-01-29 EP disclosed
EP-0101273-A2 Production of biological products using resting cells THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 1984-02-22 EP disclosed
US-4423219-A 6-/2-CHLORO-6-FLUOROBENZYL/AMINO-4-METHYLAMINO-5 -PHENYLAZOPYRIMIDINE, ANTIPROTOZOA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-12-27 US disclosed
US-4423219-A 6-/2-CHLORO-6-FLUOROBENZYL/AMINO-4-METHYLAMINO-5 -PHENYLAZOPYRIMIDINE, ANTIPROTOZOA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-12-27 US disclosed
JP-S5832867-A NOVEL ARYLAZOPYRIMIDINE COMPOUND TAKEDA CHEM IND LTD 1983-02-25 JP disclosed
EP-0052959-A1 Production of purine derivatives and intermediates therefor Takeda Chemical Industries, Ltd. (JP) 1982-06-02 EP disclosed
EP-0052959-A1 Production of purine derivatives and intermediates therefor Takeda Chemical Industries, Ltd. (JP) 1982-06-02 EP 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 (2 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-20110178298-A1 REDUCTION OF 5-(ARYL-DIAZENYL)-4,6-DIHALO-PYRIMIDINE PDXK, KHK, GCK KCNH2 234/4885TDP1 2764/4885L3MBTL1 2993/4885
US-20120130058-A1 REDUCTION OF 5-(ARYL-DIAZENYL)-4,6-DIHALO-PYRIMIDINE PDXK, KHK, GCK KCNH2 234/4885TDP1 2764/4885L3MBTL1 2993/4885

“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.